Experiment: 1LZ8

X-RAY DIFFRACTION

Initial Refinement Model(s)
Type	Source	Accession Code	Details
experimental model	PDB	8LYZ	PDB ENTRY 8LYZ

Crystalization Experiments
ID	Method	pH	Temperature	Details
1		4.6		BATCH METHOD. 20 MG/ML PROTEIN SOLUTION IN 50MM SODIUM ACETATE PH 4.6 AND 10% NACL. CRYSTALS GROWN AT ROOM TEMPERATURE.

Crystal Properties
Matthews coefficient	Solvent content
2.05	40

Symmetry
Space Group	P 43 21 2

Diffraction Experiment
ID #	Crystal ID	Scattering Type	Data Collection Temperature	Detector	Detector Type	Details	Collection Date	Monochromator	Protocol
1	1	x-ray	120	IMAGE PLATE	MARRESEARCH	SEGMENTED MIRROR	1994-12-01	M	SINGLE WAVELENGTH

Radiation Source
ID #	Source	Type	Wavelength List	Synchrotron Site	Beamline
1	SYNCHROTRON	NSLS BEAMLINE X9B		NSLS	X9B

Overall
ID #	Resolution (High)	Resolution (Low)	Percent Possible (Observed)	R Merge I (Observed)	R Sym I (Observed)	Net I Over Average Sigma (I)	Redundancy	Number Reflections (All)	Number Reflections (Observed)	Observed Criterion Sigma (F)	Observed Criterion Sigma (I)	B (Isotropic) From Wilson Plot
1	0.92	25	90.1	0.028	0.028	29.1	2		58373		3	17.7

Highest Resolution Shell
ID #	Resolution (High)	Resolution (Low)	Percent Possible (All)	Percent Possible (Observed)	R Merge I (Observed)	R-Sym I (Observed)	Mean I Over Sigma (Observed)	Redundancy	Number Unique Reflections (All)
	0.93	0.94	78		0.17	0.17	4.9	2

Statistics
Diffraction ID	Structure Solution Method	Cross Validation method	Starting model	Resolution (High)	Resolution (Low)	Number Reflections (Observed)	Number Reflections (R-Free)	Percent Reflections (Observed)	R-Factor (Observed)	R-Work	R-Free	R-Free Selection Details	Mean Isotropic B
X-RAY DIFFRACTION	MOLECULAR REPLACEMENT	FREE R	PDB ENTRY 8LYZ	1.53	25	17923	915	100	0.22	0.22	0.31	RANDOM	19.6

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]
1.043			1.043		-1.96

RMS Deviations
Key	Refinement Restraint Deviation
p_transverse_tor	20.1
p_staggered_tor	14.9
p_planar_tor	5.7
p_scangle_it	5.1
p_scbond_it	4.3
p_mcangle_it	2.9
p_mcbond_it	2.2
p_multtor_nbd	0.294
p_xyhbond_nbd	0.21
p_chiral_restr	0.18

RMS Deviations
Key	Refinement Restraint Deviation
p_transverse_tor	20.1
p_staggered_tor	14.9
p_planar_tor	5.7
p_scangle_it	5.1
p_scbond_it	4.3
p_mcangle_it	2.9
p_mcbond_it	2.2
p_multtor_nbd	0.294
p_xyhbond_nbd	0.21
p_chiral_restr	0.18
p_singtor_nbd	0.168
p_angle_d	0.044
p_planar_d	0.044
p_bond_d	0.026
p_plane_restr	0.016
p_angle_deg
p_hb_or_metal_coord
p_xhyhbond_nbd
p_orthonormal_tor
p_special_tor