1HH8

The active N-terminal region of p67phox: Structure at 1.8 Angstrom resolution and biochemical characterizations of the A128V mutant implicated in chronic granulomatous disease


X-RAY DIFFRACTION

Crystallization

Crystalization Experiments
IDMethodpHTemperatureDetails
14.5100 MM NA CITRATE PH 4.5, 17% PEG 2K MME, 10% GLYCEROL
Crystal Properties
Matthews coefficientSolvent content
2.7145

Crystal Data

Unit Cell
Length ( Å )Angle ( ˚ )
a = 67.67α = 90
b = 67.67β = 90
c = 50.2γ = 120
Symmetry
Space GroupP 31

Diffraction

Diffraction Experiment
ID #Crystal IDScattering TypeData Collection TemperatureDetectorDetector TypeDetailsCollection DateMonochromatorProtocol
11x-ray1102000-10-15MMAD
Radiation Source
ID #SourceTypeWavelength ListSynchrotron SiteBeamline
1SYNCHROTRONESRF BEAMLINE ID14-1ESRFID14-1

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
11.82099.50.04712.442385016.1
Highest Resolution Shell
ID #Resolution (High)Resolution (Low)Percent Possible (All)Percent Possible (Observed)R-Sym I (Observed)Mean I Over Sigma (Observed)RedundancyNumber Unique Reflections (All)
11.81.8599.50.1983.64

Refinement

Statistics
Diffraction IDStructure Solution MethodCross Validation methodResolution (High)Resolution (Low)Number Reflections (Observed)Number Reflections (R-Free)Percent Reflections (Observed)R-Factor (Observed)R-WorkR-FreeR-Free Selection DetailsMean Isotropic B
X-RAY DIFFRACTIONMADTHROUGHOUT1.82023707121399.50.1820.1820.204RANDOM17.3
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]
-1.090.09-1.092.18
RMS Deviations
KeyRefinement Restraint Deviation
c_dihedral_angle_d18.9
c_scangle_it2.83
c_scbond_it2.01
c_mcangle_it1.41
c_angle_deg1
c_mcbond_it0.91
c_improper_angle_d0.71
c_bond_d0.005
c_bond_d_na
c_bond_d_prot
RMS Deviations
KeyRefinement Restraint Deviation
c_dihedral_angle_d18.9
c_scangle_it2.83
c_scbond_it2.01
c_mcangle_it1.41
c_angle_deg1
c_mcbond_it0.91
c_improper_angle_d0.71
c_bond_d0.005
c_bond_d_na
c_bond_d_prot
c_angle_d
c_angle_d_na
c_angle_d_prot
c_angle_deg_na
c_angle_deg_prot
c_dihedral_angle_d_na
c_dihedral_angle_d_prot
c_improper_angle_d_na
c_improper_angle_d_prot
Non-Hydrogen Atoms Used in Refinement
Non-Hydrogen AtomsNumber
Protein Atoms1566
Nucleic Acid Atoms
Solvent Atoms160
Heterogen Atoms13

Software

Software
Software NamePurpose
CNSrefinement
DENZOdata reduction
CCP4data scaling
MLPHAREphasing