1XFH

Structure of glutamate transporter homolog from Pyrococcus horikoshii


X-RAY DIFFRACTION

Crystallization

Crystalization Experiments
IDMethodpHTemperatureDetails
1VAPOR DIFFUSION4277PEG 1000, Na/K phosphate, citrate, decyl maltoside, pH 4.0, VAPOR DIFFUSION
Crystal Properties
Matthews coefficientSolvent content
3.570

Crystal Data

Unit Cell
Length ( Å )Angle ( ˚ )
a = 116α = 90
b = 116β = 90
c = 322.3γ = 120
Symmetry
Space GroupP 61

Diffraction

Diffraction Experiment
ID #Crystal IDScattering TypeData Collection TemperatureDetectorDetector TypeDetailsCollection DateMonochromatorProtocol
11x-ray110CCDADSC QUANTUM 315mono/mirrors2003-06-29MMAD
Radiation Source
ID #SourceTypeWavelength ListSynchrotron SiteBeamline
1SYNCHROTRONNSLS BEAMLINE X251.10, 1.0711, 0.9918, 1.0721NSLSX25

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
13.5100.0780.0787.33089230587
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)
13.53.650.840.840.74

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 DIFFRACTIONMADTHROUGHOUT3.5102719927199142897.10.290860.289880.3091RANDOM124.432
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]
4.832.414.83-7.24
RMS Deviations
KeyRefinement Restraint Deviation
r_dihedral_angle_1_deg2.948
r_mcangle_it1.865
r_angle_refined_deg1.545
r_scangle_it1.231
r_mcbond_it1.036
r_scbond_it0.759
r_nbd_refined0.261
r_xyhbond_nbd_refined0.228
r_symmetry_vdw_refined0.177
r_chiral_restr0.12
RMS Deviations
KeyRefinement Restraint Deviation
r_dihedral_angle_1_deg2.948
r_mcangle_it1.865
r_angle_refined_deg1.545
r_scangle_it1.231
r_mcbond_it1.036
r_scbond_it0.759
r_nbd_refined0.261
r_xyhbond_nbd_refined0.228
r_symmetry_vdw_refined0.177
r_chiral_restr0.12
r_bond_refined_d0.012
r_gen_planes_refined0.007
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_refined
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 Atoms8652
Nucleic Acid Atoms
Solvent Atoms
Heterogen Atoms

Software

Software
Software NamePurpose
REFMACrefinement
HKL-2000data reduction
CCP4data scaling
SHARPphasing