5ZGZ
Crystal structure of NDM-1 at pH7.5 (Imidazole) with 1 molecule per asymmetric unit
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 | 2012-03-27 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.97930 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 41.492, 59.826, 42.119 |
| Unit cell angles | 90.00, 97.84, 90.00 |
Refinement procedure
| Resolution | 33.900 - 0.950 |
| R-factor | 0.1303 |
| Rwork | 0.130 |
| R-free | 0.13540 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3Q6X |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.274 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 0.980 |
| High resolution limit [Å] | 0.950 | 2.050 | 0.950 |
| Rmerge | 0.095 | 0.068 | 0.386 |
| Number of reflections | 127979 | 12991 | 12745 |
| <I/σ(I)> | 8.7 | ||
| Completeness [%] | 99.9 | 100 | 99.6 |
| Redundancy | 6.6 | 7.4 | 3.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 295 | 0.1M imidazole pH7.5, 20% PEG 3350 |
