5ZGV
Crystal structure of NDM-1 at pH8.0 (Tris) with 2 molecules 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 | 2011-06-10 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.97922 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 40.678, 73.716, 66.605 |
| Unit cell angles | 90.00, 98.40, 90.00 |
Refinement procedure
| Resolution | 50.000 - 1.150 |
| R-factor | 0.1242 |
| Rwork | 0.123 |
| R-free | 0.14380 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3Q6X |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.375 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0189) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.190 |
| High resolution limit [Å] | 1.150 | 2.480 | 1.150 |
| Rmerge | 0.072 | 0.048 | 0.497 |
| Number of reflections | 136383 | 13538 | 13626 |
| <I/σ(I)> | 8.7 | ||
| Completeness [%] | 99.0 | 96.8 | 99.1 |
| Redundancy | 3.5 | 3.6 | 3.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 295 | 0.1M Tris pH8.0, 25% PEG 3350 |
