2R09

Crystal Structure of Autoinhibited Form of Grp1 Arf GTPase Exchange Factor


X-RAY DIFFRACTION

Crystallization

Crystalization Experiments
IDMethodpHTemperatureDetails
1VAPOR DIFFUSION, HANGING DROP8277.1510-15% PEG 6000, 50 mM Tris, pH 8.0, 0.2 M Li2SO4, VAPOR DIFFUSION, HANGING DROP, temperature 277.15K
Crystal Properties
Matthews coefficientSolvent content
2.8156.2

Crystal Data

Unit Cell
Length ( Å )Angle ( ˚ )
a = 83.599α = 90
b = 94.611β = 90
c = 115.308γ = 90
Symmetry
Space GroupP 21 21 21

Diffraction

Diffraction Experiment
ID #Crystal IDScattering TypeData Collection TemperatureDetectorDetector TypeDetailsCollection DateMonochromatorProtocol
11x-ray100CCDADSC QUANTUM 3152004-09-25MMAD
Radiation Source
ID #SourceTypeWavelength ListSynchrotron SiteBeamline
1SYNCHROTRONNSLS BEAMLINE X250.9791, 0.97872, 1.1627NSLSX25

Data Collection

Overall
ID #Resolution (High)Resolution (Low)Percent Possible (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
11.952099.8867304072844

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 DIFFRACTIONMADTHROUGHOUT1.92068704365299.720.205580.203660.24106RANDOM33.482
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]
1.91-1.53-0.38
RMS Deviations
KeyRefinement Restraint Deviation
r_dihedral_angle_2_deg33.141
r_dihedral_angle_4_deg17.201
r_dihedral_angle_3_deg12.414
r_dihedral_angle_1_deg4.995
r_scangle_it2.468
r_scbond_it1.633
r_mcangle_it1.1
r_angle_refined_deg1.074
r_mcbond_it0.819
r_nbtor_refined0.3
RMS Deviations
KeyRefinement Restraint Deviation
r_dihedral_angle_2_deg33.141
r_dihedral_angle_4_deg17.201
r_dihedral_angle_3_deg12.414
r_dihedral_angle_1_deg4.995
r_scangle_it2.468
r_scbond_it1.633
r_mcangle_it1.1
r_angle_refined_deg1.074
r_mcbond_it0.819
r_nbtor_refined0.3
r_nbd_refined0.182
r_symmetry_vdw_refined0.163
r_symmetry_hbond_refined0.145
r_xyhbond_nbd_refined0.128
r_chiral_restr0.073
r_bond_refined_d0.008
r_gen_planes_refined0.004
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 Atoms5603
Nucleic Acid Atoms
Solvent Atoms807
Heterogen Atoms128

Software

Software
Software NamePurpose
REFMACrefinement
HKL-2000data collection
DENZOdata reduction
SCALEPACKdata scaling
SHARPphasing