1QFK

STRUCTURE OF HUMAN FACTOR VIIA AND ITS IMPLICATIONS FOR THE TRIGGERING OF BLOOD COAGULATION


X-RAY DIFFRACTION

Starting Model(s)

Initial Refinement Model(s)
TypeSourceAccession CodeDetails
experimental modelPDB 1DANPDB ENTRY 1DAN

Crystallization

Crystalization Experiments
IDMethodpHTemperatureDetails
18.550MM NACL, 10MM CACL2, 3.5-3.7M SODIUM FORMATE IN 100MM TRIS PH 8.5, pH 8.50
Crystal Properties
Matthews coefficientSolvent content
4.0770

Crystal Data

Unit Cell
Length ( Å )Angle ( ˚ )
a = 115.3α = 90
b = 115.3β = 90
c = 98γ = 90
Symmetry
Space GroupP 43 2 2

Diffraction

Diffraction Experiment
ID #Crystal IDScattering TypeData Collection TemperatureDetectorDetector TypeDetailsCollection DateMonochromatorProtocol
11x-ray100IMAGE PLATEMARRESEARCH1998-05-30MSINGLE WAVELENGTH
Radiation Source
ID #SourceTypeWavelength ListSynchrotron SiteBeamline
1SYNCHROTRONEMBL/DESY, HAMBURG BEAMLINE BW7BEMBL/DESY, HAMBURGBW7B

Data Collection

Overall
ID #Resolution (High)Resolution (Low)Percent Possible (Observed)R Sym 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
12.83595.40.05615.4416157-370
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)
12.82.8579.40.25331.5

Refinement

Statistics
Diffraction IDStructure Solution MethodCross Validation methodStarting modelResolution (High)Resolution (Low)Number Reflections (Observed)Number Reflections (R-Free)Percent Reflections (Observed)R-WorkR-FreeR-Free Selection DetailsMean Isotropic B
X-RAY DIFFRACTIONMOLECULAR REPLACEMENTTHROUGHOUTPDB ENTRY 1DAN2.8351608581595.40.2150.267RANDOM56.7
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]
RMS Deviations
KeyRefinement Restraint Deviation
p_staggered_tor20.2
p_transverse_tor18.2
p_mcangle_it2.972
p_scangle_it2.649
p_planar_tor2.1
p_mcbond_it1.683
p_scbond_it1.588
p_multtor_nbd0.278
p_singtor_nbd0.206
p_chiral_restr0.158
RMS Deviations
KeyRefinement Restraint Deviation
p_staggered_tor20.2
p_transverse_tor18.2
p_mcangle_it2.972
p_scangle_it2.649
p_planar_tor2.1
p_mcbond_it1.683
p_scbond_it1.588
p_multtor_nbd0.278
p_singtor_nbd0.206
p_chiral_restr0.158
p_planar_d0.048
p_angle_d0.045
p_bond_d0.014
p_plane_restr0.013
p_angle_deg
p_hb_or_metal_coord
p_xhyhbond_nbd
p_xyhbond_nbd
p_orthonormal_tor
p_special_tor
Non-Hydrogen Atoms Used in Refinement
Non-Hydrogen AtomsNumber
Protein Atoms2658
Nucleic Acid Atoms
Solvent Atoms84
Heterogen Atoms94

Software

Software
Software NamePurpose
DENZOdata reduction
SCALEPACKdata scaling
AMoREphasing
REFMACrefinement