5XP9
Crystal structure of Bismuth bound NDM-1
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL17U1 |
| Synchrotron site | SSRF |
| Beamline | BL17U1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2015-12-10 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.92 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 41.595, 60.185, 41.796 |
| Unit cell angles | 90.00, 98.95, 90.00 |
Refinement procedure
| Resolution | 41.290 - 1.550 |
| R-factor | 0.164 |
| Rwork | 0.163 |
| R-free | 0.19400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3Q6X |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.383 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.610 |
| High resolution limit [Å] | 1.550 | 1.550 |
| Rmerge | 0.116 | 0.697 |
| Number of reflections | 28178 | |
| <I/σ(I)> | 9.6 | |
| Completeness [%] | 95.5 | 94.2 |
| Redundancy | 7 | 6.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 298 | 0.1M Bis-Tris pH5.5, 15%PEG33500, 20mM L-Proline |
