5N0I
Crystal structure of NDM-1 in complex with beta-mercaptoethanol - new refinement
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | CLSI BEAMLINE 08B1-1 |
| Synchrotron site | CLSI |
| Beamline | 08B1-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-11-22 |
| Detector | RAYONIX MX300HE |
| Wavelength(s) | 0.97949 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 107.220, 107.220, 92.850 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 35.740 - 1.470 |
| R-factor | 0.11145 |
| Rwork | 0.110 |
| R-free | 0.14735 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.648 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 35.740 | 1.550 |
| High resolution limit [Å] | 1.470 | 1.470 |
| Number of reflections | 91755 | |
| <I/σ(I)> | 10.6 | 3 |
| Completeness [%] | 99.7 | 98.4 |
| Redundancy | 4 | 3.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 298 | 10% w/v PEG8K, 8% w/v ethylene glycol, 0.1M HEPES, pH 7.5 |
