4C1G
Crystal structure of the metallo-beta-lactamase IMP-1 with D-captopril
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2012-07-06 |
| Detector | DECTRIS PILATUS |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 50.220, 54.570, 194.590 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 52.543 - 1.714 |
| R-factor | 0.1461 |
| Rwork | 0.145 |
| R-free | 0.17580 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1dd6 |
| RMSD bond length | 0.020 |
| RMSD bond angle | 1.730 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | PHENIX ((PHENIX.REFINE)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 64.860 | 1.760 |
| High resolution limit [Å] | 1.710 | 1.710 |
| Rmerge | 0.090 | 0.630 |
| Number of reflections | 58579 | |
| <I/σ(I)> | 13.7 | 3.2 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 9.5 | 10.1 |
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. |
