5ACT
W228S-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 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 38.644, 133.007, 40.860 |
| Unit cell angles | 90.00, 95.28, 90.00 |
Refinement procedure
| Resolution | 24.823 - 1.810 |
| R-factor | 0.1819 |
| Rwork | 0.179 |
| R-free | 0.22950 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2ynt |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.387 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | PHENIX ((PHENIX.REFINE)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 45.000 | 1.870 |
| High resolution limit [Å] | 1.810 | 1.810 |
| Rmerge | 0.040 | 0.480 |
| Number of reflections | 36990 | |
| <I/σ(I)> | 14 | 2.1 |
| Completeness [%] | 99.1 | 99.3 |
| Redundancy | 3.5 | 3.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 26.8% PEG MME 2K, 0.1 M TRIS, PH 7.0, 0.11 M POTASSIUM PHOSPHATE MONOBASIC (KH2PO4) |
