5ACQ
W228A-Investigation of the impact from residues W228 and Y233 in the metallo-beta-lactamase GIM-1
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 |
| Detector | DECTRIS PILATUS 6M |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 38.549, 131.796, 40.581 |
| Unit cell angles | 90.00, 95.51, 90.00 |
Refinement procedure
| Resolution | 24.998 - 1.700 |
| R-factor | 0.1897 |
| Rwork | 0.188 |
| R-free | 0.22700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2ynt |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.378 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Refinement software | PHENIX ((PHENIX.REFINE)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 44.000 | 1.760 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.070 | 0.400 |
| Number of reflections | 42445 | |
| <I/σ(I)> | 8.7 | 2.2 |
| Completeness [%] | 96.2 | 92.5 |
| Redundancy | 2.9 | 2.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 19.8% POLYETHYLENE GLYCOL (PEG) 10K AND 0.1 M SODIUM CACODYLATE, PH 6.5 |
