5ZGU
Crystal structure of NDM-1 at pH7.0 (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 | 2011-06-10 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.97922 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 40.762, 73.496, 66.448 |
Unit cell angles | 90.00, 98.13, 90.00 |
Refinement procedure
Resolution | 50.000 - 1.550 |
R-factor | 0.1199 |
Rwork | 0.118 |
R-free | 0.15790 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3Q6X |
RMSD bond length | 0.009 |
RMSD bond angle | 1.429 |
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 | 1.610 |
High resolution limit [Å] | 1.550 | 3.340 | 1.550 |
Rmerge | 0.069 | 0.038 | 0.441 |
Number of reflections | 55127 | 5725 | 5344 |
<I/σ(I)> | 8.2 | ||
Completeness [%] | 97.5 | 99.5 | 95.7 |
Redundancy | 3.7 | 3.8 | 3.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 295 | 0.1M HEPES pH7.0, 25% PEG 3350 |