5N0H
Crystal structure of NDM-1 in complex with hydrolyzed meropenem - new refinement
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | CLSI BEAMLINE 08B1-1 |
Synchrotron site | CLSI |
Beamline | 08B1-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2011-11-22 |
Detector | RAYONIX MX300HE |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 106.000, 106.000, 92.580 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 42.190 - 1.900 |
R-factor | 0.157 |
Rwork | 0.155 |
R-free | 0.20008 |
RMSD bond length | 0.044 |
RMSD bond angle | 1.797 |
Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 42.190 |
High resolution limit [Å] | 1.900 |
Number of reflections | 40390 |
<I/σ(I)> | 999 |
Completeness [%] | 96.1 |
Redundancy | 999 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 298 | 1M trisodium cacodylate, 0.1M sodium cacodylate , pH 6.5 |