1ZKP | pdb_00001zkp

1.5A Resolution Crystal Structure of a Metallo Beta Lactamase Family Protein, the ELAC Homolgue of Bacillus anthracis, a Putative Ribonuclease


X-RAY DIFFRACTION

Crystallization

Crystalization Experiments
IDMethodpHTemperatureDetails
1VAPOR DIFFUSION5.62980.2M Ammonoum Sulfate, 0.1M Sodium citrate tribasic dihydrate ph 5.6, 30% w/v PEG 4000 0.5M NaCl, ZnCl, VAPOR DIFFUSION, temperature 298K
2VAPOR DIFFUSION5.62980.2M Ammonoum Sulfate, 0.1M Sodium citrate tribasic dihydrate ph 5.6, 30% w/v PEG 40000.5M NaCl, ZnCl , VAPOR DIFFUSION, temperature 298K

Crystal Data

Unit Cell
Length ( Å )Angle ( ˚ )
a = 73.375α = 90
b = 91.19β = 115.31
c = 78.466γ = 90
Symmetry
Space GroupP 1 21 1

Diffraction

Diffraction Experiment
ID #Crystal IDScattering TypeData Collection TemperatureDetectorDetector TypeDetailsCollection DateMonochromatorProtocol
11x-ray99.8CCDMAR CCD 165 mmmirrors2005-03-18MSINGLE WAVELENGTH
21x-ray100CCDMARMOSAIC 225 mm CCDmirrors2005-03-26MSINGLE WAVELENGTH
1,21
Radiation Source
ID #SourceTypeWavelength ListSynchrotron SiteBeamline
1SYNCHROTRONAPS BEAMLINE 32-ID0.9792APS32-ID
2SYNCHROTRONAPS BEAMLINE 5ID-B1.0APS5ID-B

Data Collection

Overall
ID #Resolution (High)Resolution (Low)Percent Possible (Observed)R Merge I (Observed)Net I Over Average Sigma (I)RedundancyNumber Reflections (All)Number Reflections (Observed)Observed Criterion Sigma (F)Observed Criterion Sigma (I)B (Isotropic) From Wilson Plot
1,21.525880.06513.05148486-3
Highest Resolution Shell
ID #Resolution (High)Resolution (Low)Percent Possible (All)Percent Possible (Observed)R Merge I (Observed)Mean I Over Sigma (Observed)RedundancyNumber Unique Reflections (All)
1,21.51.5777.70.20758.8629285

Refinement

Statistics
Diffraction IDStructure Solution MethodCross Validation methodResolution (High)Resolution (Low)Number Reflections (All)Number Reflections (Observed)Number Reflections (R-Free)Percent Reflections (Observed)R-Factor (All)R-Factor (Observed)R-Work (Depositor)R-Work (DCC)R-Free (Depositor)R-Free (DCC)R-Free Selection DetailsMean Isotropic B
X-RAY DIFFRACTIONSADTHROUGHOUT1.50225135032135032710395.750.149020.149020.147360.1520.180090.1834RANDOM19.163
Temperature Factor Modeling
Anisotropic B[1][1]Anisotropic B[1][2]Anisotropic B[1][3]Anisotropic B[2][2]Anisotropic B[2][3]Anisotropic B[3][3]
0.430.21-0.490.23
RMS Deviations
KeyRefinement Restraint Deviation
r_dihedral_angle_2_deg35.739
r_dihedral_angle_4_deg21.182
r_dihedral_angle_3_deg11.82
r_dihedral_angle_1_deg6.256
r_scangle_it4.697
r_scbond_it3.089
r_mcangle_it1.992
r_angle_refined_deg1.251
r_mcbond_it1.229
r_nbtor_refined0.307
Non-Hydrogen Atoms Used in Refinement
Non-Hydrogen AtomsNumber
Protein Atoms7741
Nucleic Acid Atoms
Solvent Atoms1375
Heterogen Atoms13

Software

Software
Software NamePurpose
REFMACrefinement
MAR345data collection
SCALEPACKdata scaling
XDSdata scaling
PHENIXphasing
SHARPphasing
DMphasing