1XTD

Structural Analysis of Leishmania mexicana eukaryotic initiation factor 5a


X-RAY DIFFRACTION

Crystallization

Crystalization Experiments
IDMethodpHTemperatureDetails
1VAPOR DIFFUSION, SITTING DROP5277PEG 8000,Ammonium phosphate-monobasic, Sodium Acetate , pH 5, VAPOR DIFFUSION, SITTING DROP, temperature 277K
Crystal Properties
Matthews coefficientSolvent content
2.957.4

Crystal Data

Unit Cell
Length ( Å )Angle ( ˚ )
a = 65.205α = 90
b = 65.205β = 90
c = 89.435γ = 120
Symmetry
Space GroupP 32 2 1

Diffraction

Diffraction Experiment
ID #Crystal IDScattering TypeData Collection TemperatureDetectorDetector TypeDetailsCollection DateMonochromatorProtocol
11x-ray100CCDADSC QUANTUM 3152004-06-12MSINGLE WAVELENGTH
Radiation Source
ID #SourceTypeWavelength ListSynchrotron SiteBeamline
1SYNCHROTRONSSRL BEAMLINE BL9-20.9791SSRLBL9-2

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
12.72098.40.146.23.662326232-364.39
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)
12.72.8598.80.5012.43.3885

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 (All)R-Factor (Observed)R-WorkR-FreeR-Free Selection DetailsMean Isotropic B
X-RAY DIFFRACTIONSADTHROUGHOUTpdb entry 1x6o2.7205939593929198.80.224620.224620.220540.30183RANDOM37.328
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]
0.290.150.29-0.44
RMS Deviations
KeyRefinement Restraint Deviation
r_scangle_it7.702
r_dihedral_angle_1_deg6.999
r_scbond_it5.625
r_mcangle_it3.959
r_mcbond_it2.509
r_angle_refined_deg1.666
r_nbd_refined0.21
r_symmetry_vdw_refined0.203
r_xyhbond_nbd_refined0.145
r_chiral_restr0.106
RMS Deviations
KeyRefinement Restraint Deviation
r_scangle_it7.702
r_dihedral_angle_1_deg6.999
r_scbond_it5.625
r_mcangle_it3.959
r_mcbond_it2.509
r_angle_refined_deg1.666
r_nbd_refined0.21
r_symmetry_vdw_refined0.203
r_xyhbond_nbd_refined0.145
r_chiral_restr0.106
r_symmetry_hbond_refined0.075
r_bond_refined_d0.02
r_gen_planes_refined0.005
r_bond_other_d
r_angle_other_deg
r_dihedral_angle_2_deg
r_dihedral_angle_3_deg
r_dihedral_angle_4_deg
r_gen_planes_other
r_nbd_other
r_nbtor_refined
r_nbtor_other
r_xyhbond_nbd_other
r_metal_ion_refined
r_metal_ion_other
r_symmetry_vdw_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 Atoms1118
Nucleic Acid Atoms
Solvent Atoms81
Heterogen Atoms

Software

Software
Software NamePurpose
REFMACrefinement
MOSFLMdata reduction
CCP4data scaling
MOLREPphasing