5ZGW
Crystal structure of NDM-1 at pH7.5 with 1 molecule per asymmetric unit (crystallized at succinate pH5.5 and soaked at succinate pH7.5)
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 | 41.456, 59.905, 41.740 |
| Unit cell angles | 90.00, 98.14, 90.00 |
Refinement procedure
| Resolution | 41.320 - 0.950 |
| R-factor | 0.1293 |
| Rwork | 0.129 |
| R-free | 0.14040 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3Q6X |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.234 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 0.980 |
| High resolution limit [Å] | 0.950 | 2.054 | 0.950 |
| Rmerge | 0.108 | 0.091 | 0.325 |
| Number of reflections | 125133 | 12745 | 12153 |
| <I/σ(I)> | 10.6 | ||
| Completeness [%] | 98.7 | 99.1 | 96.1 |
| Redundancy | 7.1 | 6.6 | 3.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 295 | 0.1M sodium succinate pH5.5, 20% PEG 3350 |
