7DTN
Crystal structure of metallo-beta-lactamase IMP-1 mutant (D120E) in complex with citrate.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE BL-5A |
| Synchrotron site | Photon Factory |
| Beamline | BL-5A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-10-16 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.0000 |
| Spacegroup name | P 1 |
| Unit cell lengths | 49.709, 72.862, 82.188 |
| Unit cell angles | 84.78, 75.58, 73.69 |
Refinement procedure
| Resolution | 30.000 - 1.850 |
| R-factor | 0.1651 |
| Rwork | 0.164 |
| R-free | 0.19630 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1dd6 |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.375 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.880 |
| High resolution limit [Å] | 1.850 | 1.850 |
| Rmerge | 0.050 | 0.332 |
| Number of reflections | 89488 | 4327 |
| <I/σ(I)> | 26.4 | 5 |
| Completeness [%] | 97.7 | |
| Redundancy | 3.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 293 | 0.1M citric acid-sodium citrate buffer, 0.2M sodium acetate, PEG4000 30 w/v% |
