3S0Z
Crystal structure of New Delhi Metallo-beta-lactamase (NDM-1)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PHOTON FACTORY BEAMLINE AR-NE3A |
Synchrotron site | Photon Factory |
Beamline | AR-NE3A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2011-03-02 |
Detector | ADSC QUANTUM 270 |
Wavelength(s) | 1.0000 |
Spacegroup name | P 31 |
Unit cell lengths | 40.696, 40.696, 215.292 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 30.000 - 2.500 |
R-factor | 0.2359 |
Rwork | 0.234 |
R-free | 0.26742 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2wrs |
RMSD bond length | 0.016 |
RMSD bond angle | 1.785 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | REFMAC (5.5.0110) |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 50.000 |
High resolution limit [Å] | 2.500 |
Number of reflections | 10177 |
Completeness [%] | 71.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 291 | 20mM CdCl2, 20mM CaCl2, 20mM CoCl2, 20% (v/w) PEG 3350, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K |