4EYL
Crystal structure of NDM-1 bound to hydrolyzed meropenem
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 | 0.186 |
Rwork | 0.184 |
R-free | 0.22400 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.013 |
RMSD bond angle | 1.977 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 42.190 | 2.000 |
High resolution limit [Å] | 1.900 | 1.900 |
Number of reflections | 40390 | |
Completeness [%] | 96.1 | 92.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 6.5 | 298 | 1M trisodium cacodylate, 0.1M sodium cacodylate , pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K |