6KQC
Crystal structure of E136F mutant of Xanthine-guanine phosphoribosyltransferase from Yersinia pestis
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID29 |
| Synchrotron site | ESRF |
| Beamline | ID29 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-12-03 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 1.072 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 56.380, 96.650, 51.029 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 37.860 - 1.700 |
| R-factor | 0.182 |
| Rwork | 0.180 |
| R-free | 0.21200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5xtk |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.854 |
| Data reduction software | MOSFLM |
| 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] | 37.860 | 37.830 | 1.730 |
| High resolution limit [Å] | 1.700 | 9.000 | 1.700 |
| Rmerge | 0.113 | 0.034 | 0.603 |
| Rmeas | 0.131 | 0.039 | 0.695 |
| Rpim | 0.063 | 0.019 | 0.334 |
| Total number of observations | 997 | 6180 | |
| Number of reflections | 30317 | 247 | 1593 |
| <I/σ(I)> | 7.1 | 17.5 | 2.2 |
| Completeness [%] | 97.0 | 94.4 | 99 |
| Redundancy | 3.8 | 4 | 3.9 |
| CC(1/2) | 0.993 | 0.996 | 0.462 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 298 | 0.2M Lithium chloride, 20% (w/v) PEG 3350 |
