5XTK
Crystal structure of Xanthine-guanine phosphoribosyltransferase from Yersinia pestis
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X29A |
Synchrotron site | NSLS |
Beamline | X29A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2013-06-20 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 1.074 |
Spacegroup name | P 43 2 2 |
Unit cell lengths | 66.557, 66.557, 165.379 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 66.560 - 1.740 |
R-factor | 0.16773 |
Rwork | 0.166 |
R-free | 0.19654 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1nul |
RMSD bond length | 0.017 |
RMSD bond angle | 1.840 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 66.560 | 66.530 | 1.770 |
High resolution limit [Å] | 1.740 | 4.720 | 1.740 |
Rmerge | 0.067 | 0.032 | 0.584 |
Rmeas | 0.069 | 0.033 | 0.614 |
Rpim | 0.018 | 0.009 | 0.186 |
Number of reflections | 39181 | 1893 | |
<I/σ(I)> | 10.6 | 3.74 | |
Completeness [%] | 99.9 | 99.6 | 98.8 |
Redundancy | 14.4 | 14.3 | 10.5 |
CC(1/2) | 0.987 | 0.999 | 0.923 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 298 | 0.2M Lithium sulphate, 25% PEG 3350, 0.1M HEPES pH 7.5 |