4C1F
Crystal structure of the metallo-beta-lactamase IMP-1 with L-captopril
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 | 2012-05-12 |
| Detector | DECTRIS PILATUS |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 193.620, 49.910, 54.620 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 52.568 - 2.010 |
| R-factor | 0.186 |
| Rwork | 0.184 |
| R-free | 0.22440 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1dd6 |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.766 |
| Data reduction software | XDS |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | PHENIX ((PHENIX.REFINE)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 52.500 | 2.080 |
| High resolution limit [Å] | 2.010 | 2.010 |
| Rmerge | 0.090 | 0.350 |
| Number of reflections | 36158 | |
| <I/σ(I)> | 9.7 | 3.8 |
| Completeness [%] | 99.9 | 99.1 |
| Redundancy | 6.3 | 6.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 4.5 | 0.05 M LI2SO4, 0.1 M SODIUM ACETATE, PH 4.5, 23 % W/V PEG 8000, 1MM DTT. |
