4EY2
Crystal structure of NDM-1 bound to hydrolyzed methicillin
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 21 21 21 |
Unit cell lengths | 39.120, 79.360, 133.830 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 25.430 - 1.170 |
R-factor | 0.131 |
Rwork | 0.130 |
R-free | 0.15900 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.017 |
RMSD bond angle | 2.107 |
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] | 25.430 | 1.230 |
High resolution limit [Å] | 1.170 | 1.170 |
Number of reflections | 137386 | |
Completeness [%] | 96.8 | 93.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 5.5 | 298 | 0.2M MgCl2, 25% PEG3350, 0.1M bis-tris , pH 5.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K |