1FTN

CRYSTAL STRUCTURE OF THE HUMAN RHOA/GDP COMPLEX


X-RAY DIFFRACTION

Starting Model(s)

Initial Refinement Model(s)
TypeSourceAccession CodeDetails
experimental modelOtherPOLY ALANINE MODEL OF RAC1

Crystallization

Crystalization Experiments
IDMethodpHTemperatureDetails
17.5pH 7.5
Crystal Properties
Matthews coefficientSolvent content
2.1242

Crystal Data

Unit Cell
Length ( Å )Angle ( ˚ )
a = 31.92α = 90
b = 65.96β = 90
c = 83.37γ = 90
Symmetry
Space GroupP 21 21 21

Diffraction

Diffraction Experiment
ID #Crystal IDScattering TypeData Collection TemperatureDetectorDetector TypeDetailsCollection DateMonochromatorProtocol
11x-ray100IMAGE PLATEMAR scanner 180 mm plate1996-12-04M
Radiation Source
ID #SourceTypeWavelength ListSynchrotron SiteBeamline
1SYNCHROTRONEMBL/DESY, HAMBURG BEAMLINE X31EMBL/DESY, HAMBURGX31

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
12.1897.30.0450.04514.83.710913
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)
2.082.1581.10.12110.1

Refinement

Statistics
Diffraction IDStructure Solution MethodStarting modelResolution (High)Resolution (Low)Number Reflections (Observed)Number Reflections (R-Free)Percent Reflections (Observed)R-WorkR-FreeMean Isotropic B
X-RAY DIFFRACTIONMIR AND MRPOLY ALANINE MODEL OF RAC12.18103130.1860.304
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_tor21
p_transverse_tor18
p_planar_tor9.2
p_scangle_it4.216
p_mcangle_it3.39
p_scbond_it2.846
p_mcbond_it2.301
p_planar_d0.052
p_angle_d0.048
p_bond_d0.019
RMS Deviations
KeyRefinement Restraint Deviation
p_staggered_tor21
p_transverse_tor18
p_planar_tor9.2
p_scangle_it4.216
p_mcangle_it3.39
p_scbond_it2.846
p_mcbond_it2.301
p_planar_d0.052
p_angle_d0.048
p_bond_d0.019
p_angle_deg
p_hb_or_metal_coord
p_plane_restr
p_chiral_restr
p_singtor_nbd
p_multtor_nbd
p_xhyhbond_nbd
p_xyhbond_nbd
p_orthonormal_tor
p_special_tor
Non-Hydrogen Atoms Used in Refinement
Non-Hydrogen AtomsNumber
Protein Atoms1406
Nucleic Acid Atoms
Solvent Atoms217
Heterogen Atoms1

Software

Software
Software NamePurpose
AMoREphasing
MLPHAREphasing
SHELX-90model building
SHELX-90refinement
DENZOdata reduction
SCALEPACKdata scaling
SHELX-90phasing