5ZGI
Crystal structure of NDM-1 at pH6.5 (Succinate) 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 | 41.445, 59.805, 42.132 |
| Unit cell angles | 90.00, 97.73, 90.00 |
Refinement procedure
| Resolution | 41.750 - 0.980 |
| R-factor | 0.1204 |
| Rwork | 0.120 |
| R-free | 0.13520 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3Q6X |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.188 |
| 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 | 1.020 |
| High resolution limit [Å] | 0.980 | 2.110 | 0.980 |
| Rmerge | 0.095 | 0.081 | 0.290 |
| Number of reflections | 109068 | 11693 | 8609 |
| <I/σ(I)> | 12.7 | ||
| Completeness [%] | 93.5 | 98.8 | 74.1 |
| Redundancy | 7.8 | 6.7 | 6.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 295 | 0.1M sodium succinate pH6.5, 40% PEG 3350 |
