2OWA

Crystal structure of putative GTPase activating protein for ADP ribosylation factor from Cryptosporidium parvum (cgd5_1040)


X-RAY DIFFRACTION

Crystallization

Crystalization Experiments
IDMethodpHTemperatureDetails
129720% PEG3350, 0.2 M Ammonium formate, 2 mM ZnCl2, VAPOR DIFFUSION, HANGING DROP, temperature 297K
Crystal Properties
Matthews coefficientSolvent content
1.8132.11

Crystal Data

Unit Cell
Length ( Å )Angle ( ˚ )
a = 32.452α = 90
b = 79.499β = 90
c = 88.879γ = 90
Symmetry
Space GroupP 21 21 21

Diffraction

Diffraction Experiment
ID #Crystal IDScattering TypeData Collection TemperatureDetectorDetector TypeDetailsCollection DateMonochromatorProtocol
11x-ray100IMAGE PLATERIGAKU RAXIS IV++VERIMAX HR2007-02-14MSINGLE WAVELENGTH
Radiation Source
ID #SourceTypeWavelength ListSynchrotron SiteBeamline
1ROTATING ANODERIGAKU

Data Collection

Overall
ID #Resolution (High)Resolution (Low)Percent Possible (Observed)R Merge I (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
125099.90.1630.1635.56.81621725.8
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)RedundancyNumber Unique Reflections (All)
22.0799.80.7660.7662.166.5

Refinement

Statistics
Diffraction IDStructure Solution MethodCross Validation methodStarting modelResolution (High)Resolution (Low)Number Reflections (All)Number Reflections (Observed)Number Reflections (R-Free)Percent Reflections (Observed)R-Factor (Observed)R-WorkR-FreeR-Free Selection DetailsMean Isotropic B
X-RAY DIFFRACTIONMOLECULAR REPLACEMENTTHROUGHOUTPDB ENTRIES 2CRW, 2IQJ250156611566150699.90.1830.1810.246RANDOM24.53
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]
-0.650.310.34
RMS Deviations
KeyRefinement Restraint Deviation
r_dihedral_angle_2_deg32.291
r_dihedral_angle_3_deg16.609
r_dihedral_angle_4_deg16.197
r_dihedral_angle_1_deg6.34
r_scangle_it4.157
r_scbond_it2.743
r_mcangle_it1.661
r_angle_refined_deg1.477
r_mcbond_it0.976
r_nbtor_refined0.301
RMS Deviations
KeyRefinement Restraint Deviation
r_dihedral_angle_2_deg32.291
r_dihedral_angle_3_deg16.609
r_dihedral_angle_4_deg16.197
r_dihedral_angle_1_deg6.34
r_scangle_it4.157
r_scbond_it2.743
r_mcangle_it1.661
r_angle_refined_deg1.477
r_mcbond_it0.976
r_nbtor_refined0.301
r_nbd_refined0.215
r_symmetry_vdw_refined0.215
r_xyhbond_nbd_refined0.16
r_symmetry_hbond_refined0.12
r_chiral_restr0.107
r_bond_refined_d0.017
r_gen_planes_refined0.006
r_bond_other_d
r_angle_other_deg
r_gen_planes_other
r_nbd_other
r_nbtor_other
r_xyhbond_nbd_other
r_metal_ion_refined
r_metal_ion_other
r_symmetry_vdw_other
r_symmetry_hbond_other
r_symmetry_metal_ion_refined
r_symmetry_metal_ion_other
r_mcbond_other
r_rigid_bond_restr
r_sphericity_free
r_sphericity_bonded
Non-Hydrogen Atoms Used in Refinement
Non-Hydrogen AtomsNumber
Protein Atoms2031
Nucleic Acid Atoms
Solvent Atoms178
Heterogen Atoms2

Software

Software
Software NamePurpose
REFMACrefinement
HKL-2000data reduction
HKL-2000data scaling
PHASERphasing