7XHW
Crystal structure of metallo-beta-lactamase IMP-1
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL44XU |
| Synchrotron site | SPring-8 |
| Beamline | BL44XU |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-04-14 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.9 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 49.321, 78.332, 259.945 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 46.110 - 1.940 |
| R-factor | 0.25136 |
| Rwork | 0.249 |
| R-free | 0.29163 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1ddk |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.510 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.060 |
| High resolution limit [Å] | 1.940 | 1.940 |
| Number of reflections | 75269 | 11934 |
| <I/σ(I)> | 6.89 | |
| Completeness [%] | 99.8 | |
| Redundancy | 6.6 | |
| CC(1/2) | 0.993 | 0.937 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5 | 288 | 0.1 M sodium acetate, 0.2 M ammonium acetate, 22% PEG 8000 |
