5ZGT
Crystal structure of NDM-1 at pH7.5 (HEPES) 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 | 2011-05-27 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.97941 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 40.691, 73.475, 66.461 |
| Unit cell angles | 90.00, 98.23, 90.00 |
Refinement procedure
| Resolution | 50.000 - 1.200 |
| R-factor | 0.1153 |
| Rwork | 0.114 |
| R-free | 0.13290 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3Q6X |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.385 |
| 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 | 1.220 |
| High resolution limit [Å] | 1.200 | 3.260 | 1.200 |
| Rmerge | 0.060 | 0.030 | 0.444 |
| Number of reflections | 119756 | 6090 | 5913 |
| <I/σ(I)> | 10.9 | ||
| Completeness [%] | 99.4 | 98.7 | 98.9 |
| Redundancy | 7 | 7.4 | 6.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 295 | 0.1M HEPES pH7.5, 25% PEG 3350 |
