6KP5
crystal structure of Xanthine-guanine phosphoribosyltransferase (XGPRT) from Yersinia pestis in P21212 space group with sulphate ions in the active site
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ELETTRA BEAMLINE 11.2C |
Synchrotron site | ELETTRA |
Beamline | 11.2C |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-12-06 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.97620 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 58.320, 94.630, 51.670 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 47.315 - 1.100 |
R-factor | 0.163 |
Rwork | 0.162 |
R-free | 0.18640 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5xtk |
RMSD bond length | 0.019 |
RMSD bond angle | 2.153 |
Data reduction software | iMOSFLM |
Data scaling software | Aimless (0.7.3) |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 47.320 | 47.320 | 1.120 |
High resolution limit [Å] | 1.100 | 6.020 | 1.100 |
Rmerge | 0.112 | 0.055 | 1.077 |
Rmeas | 0.117 | 0.058 | 1.130 |
Rpim | 0.035 | 0.018 | 0.338 |
Number of reflections | 116357 | 829 | 5672 |
<I/σ(I)> | 10.4 | ||
Completeness [%] | 99.9 | 99.8 | 99.7 |
Redundancy | 11.3 | 9.9 | 10.8 |
CC(1/2) | 0.998 | 0.994 | 0.829 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 298 | 0.2M Lithium sulphate, 0.1M Tris:HCl pH 8.5, 1.26M Ammonium Sulfate |