5ACR
W228Y-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 BM30A |
| Synchrotron site | ESRF |
| Beamline | BM30A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Detector | ADSC QUANTUM 315r |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 38.532, 129.732, 40.396 |
| Unit cell angles | 90.00, 96.50, 90.00 |
Refinement procedure
| Resolution | 24.747 - 1.900 |
| R-factor | 0.2039 |
| Rwork | 0.202 |
| R-free | 0.24420 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2ynt |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.271 |
| Data reduction software | XDS |
| Phasing software | PHASER |
| Refinement software | PHENIX ((PHENIX.REFINE)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 45.000 | 2.000 |
| High resolution limit [Å] | 1.810 | 1.900 |
| Rmerge | 0.070 | 0.460 |
| Number of reflections | 30606 | |
| <I/σ(I)> | 6.5 | 2.3 |
| Completeness [%] | 99.1 | 97.5 |
| Redundancy | 3.5 | 2.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 24% PEG 5000 MONOMETHYL ETHER (PEG 5K MME), 0.1 M SODIUM ACETATE, PH 5.5 AND 0.12 POTASSIUM THIOCYANATE. |
