4C09
Crystal structure of the metallo-beta-lactamase BCII
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2012-10-22 |
| Detector | DECTRIS PILATUS 6M |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 53.300, 61.970, 69.460 |
| Unit cell angles | 90.00, 93.04, 90.00 |
Refinement procedure
| Resolution | 34.681 - 1.200 |
| R-factor | 0.1192 |
| Rwork | 0.119 |
| R-free | 0.13930 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1mqo |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.433 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | PHENIX ((PHENIX.REFINE: 1.8.2_1309)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 34.680 | 1.230 |
| High resolution limit [Å] | 1.200 | 1.200 |
| Rmerge | 0.060 | 0.510 |
| Number of reflections | 69108 | |
| <I/σ(I)> | 9.1 | 2 |
| Completeness [%] | 98.3 | 95.6 |
| Redundancy | 4.3 | 4.3 |
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. |
