4EXY
Crystal structure of NDM-1 bound to ethylene glycol
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 |
| 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 | 0.142 |
| Rwork | 0.140 |
| R-free | 0.18200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.017 |
| RMSD bond angle | 2.102 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0102) |
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 | |
| Completeness [%] | 99.7 | 98.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7.5 | 298 | 10% w/v PEG8K, 8% w/v ethylene glycol, 0.1M HEPES, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K |
