5FQA
Crystal Structure of Bacillus cereus Metallo-Beta-Lactamase II
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I02 |
| Synchrotron site | Diamond |
| Beamline | I02 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2015-05-25 |
| Detector | DECTRIS PILATUS 6M |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 53.048, 61.500, 69.469 |
| Unit cell angles | 90.00, 92.98, 90.00 |
Refinement procedure
| Resolution | 14.176 - 1.100 |
| R-factor | 0.1197 |
| Rwork | 0.119 |
| R-free | 0.14000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4c09 |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.568 |
| Data reduction software | MOSFLM |
| Data scaling software | Aimless |
| Phasing software | PHENIX |
| Refinement software | PHENIX ((PHENIX.REFINE: 1.9_1692)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 14.180 | 1.140 |
| High resolution limit [Å] | 1.100 | 1.100 |
| Rmerge | 0.060 | 0.100 |
| Number of reflections | 87891 | |
| <I/σ(I)> | 16.9 | 4.88 |
| Completeness [%] | 97.4 | 95 |
| Redundancy | 6.1 | 7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 5.5 | 0.2 M AMMONIUM SULFATE, 0.1 M BIS TRIS, 25 % W/V PEG 3350 PH 5.5, 1 MM TCEP |
