2XQZ
Neutron structure of the perdeuterated Toho-1 R274N R276N double mutant beta-lactamase
Experimental procedure
| Source type | NUCLEAR REACTOR |
| Source details | ILL BEAMLINE LADI III |
| Synchrotron site | ILL |
| Beamline | LADI III |
| Detector technology | IMAGE PLATE |
| Collection date | 2010-07-07 |
| Wavelength(s) | 3.7 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 72.956, 72.956, 98.526 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 53.185 - 2.100 |
| R-factor | 0.2275 |
| Rwork | 0.225 |
| R-free | 0.25860 |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.667 |
| Data reduction software | LAUEGEN |
| Data scaling software | LAUEGEN |
| Refinement software | PHENIX ((PHENIX.REFINE)) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 63.150 |
| High resolution limit [Å] | 2.100 |
| Rmerge | 0.180 |
| Number of reflections | 14991 |
| Completeness [%] | 83.7 |
| Redundancy | 7.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6.5 | pH 6.5 |
