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3VIU

Crystal structure of PurL from thermus thermophilus

Replaces:  3AC6
Experimental procedure
Experimental methodMAD
Source typeSYNCHROTRON
Source detailsSPRING-8 BEAMLINE BL26B1
Synchrotron siteSPring-8
BeamlineBL26B1
Temperature [K]100
Detector technologyCCD
Collection date2004-12-23
DetectorRIGAKU JUPITER 210
Wavelength(s)0.979291, 1.0, 0.979541
Spacegroup nameC 2 2 21
Unit cell lengths94.899, 94.563, 158.780
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution47.280 - 2.350
R-factor0.199
Rwork0.199
R-free0.26000
Structure solution methodMAD
RMSD bond length0.006
RMSD bond angle1.400
Data reduction softwareHKL-2000
Data scaling softwareHKL-2000
Phasing softwareSOLVE
Refinement softwareCNS (1.3)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]47.2802.430
High resolution limit [Å]2.3502.350
Rmerge0.1200.368
Number of reflections29532
<I/σ(I)>142.1
Completeness [%]97.378.2
Redundancy6.13
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION7.129325% PEG 3350, 0.2M ammonium acetate, 0.1M MES, pH 7.1, VAPOR DIFFUSION, temperature 293.0K

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