1R8Q

FULL-LENGTH ARF1-GDP-MG IN COMPLEX WITH BREFELDIN A AND A SEC7 DOMAIN


X-RAY DIFFRACTION

Crystallization

Crystalization Experiments
IDMethodpHTemperatureDetails
1VAPOR DIFFUSION, HANGING DROP6.528919% Peg 3350, 175mM NH4 Fluoride, 100mM cacodylate, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 289K
Crystal Properties
Matthews coefficientSolvent content
2.5451.56

Crystal Data

Unit Cell
Length ( Å )Angle ( ˚ )
a = 69.081α = 90
b = 109.773β = 90
c = 118.326γ = 90
Symmetry
Space GroupP 21 21 21

Diffraction

Diffraction Experiment
ID #Crystal IDScattering TypeData Collection TemperatureDetectorDetector TypeDetailsCollection DateMonochromatorProtocol
11x-ray100 MSINGLE WAVELENGTH
Radiation Source
ID #SourceTypeWavelength ListSynchrotron SiteBeamline
1SYNCHROTRONESRF BEAMLINE ID14-30.931ESRFID14-3

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
11.86250.08718.611.777490527.28
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)
11.861.8883.60.4243.13.7

Refinement

Statistics
Diffraction IDStructure Solution MethodCross Validation methodResolution (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 REPLACEMENTTHROUGHOUT1.8629.887490571213369298.290.181110.179040.22045RANDOM24.191
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]
0.44-0.590.15
RMS Deviations
KeyRefinement Restraint Deviation
r_dihedral_angle_1_deg6.391
r_scangle_it5.667
r_scbond_it3.539
r_mcangle_it2.483
r_angle_refined_deg1.971
r_mcbond_it1.409
r_angle_other_deg0.994
r_symmetry_vdw_other0.292
r_nbd_other0.26
r_symmetry_hbond_refined0.251
RMS Deviations
KeyRefinement Restraint Deviation
r_dihedral_angle_1_deg6.391
r_scangle_it5.667
r_scbond_it3.539
r_mcangle_it2.483
r_angle_refined_deg1.971
r_mcbond_it1.409
r_angle_other_deg0.994
r_symmetry_vdw_other0.292
r_nbd_other0.26
r_symmetry_hbond_refined0.251
r_nbd_refined0.231
r_metal_ion_refined0.201
r_symmetry_vdw_refined0.186
r_xyhbond_nbd_refined0.169
r_chiral_restr0.135
r_nbtor_other0.09
r_bond_refined_d0.026
r_gen_planes_refined0.012
r_gen_planes_other0.011
r_bond_other_d0.004
r_dihedral_angle_2_deg
r_dihedral_angle_3_deg
r_dihedral_angle_4_deg
r_nbtor_refined
r_xyhbond_nbd_other
r_metal_ion_other
r_symmetry_hbond_other
r_mcbond_other
r_rigid_bond_restr
r_sphericity_free
r_sphericity_bonded
Non-Hydrogen Atoms Used in Refinement
Non-Hydrogen AtomsNumber
Protein Atoms6011
Nucleic Acid Atoms
Solvent Atoms345
Heterogen Atoms107

Software

Software
Software NamePurpose
REFMACrefinement
MAR345data collection
XDSdata scaling
CCP4phasing