6CAC
Crystal structure of NDM-1 metallo-beta-lactamase harboring an insertion of a Pro residue in L3 loop
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SOLEIL BEAMLINE PROXIMA 1 |
Synchrotron site | SOLEIL |
Beamline | PROXIMA 1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-07-02 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.97934 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 91.707, 91.737, 134.329 |
Unit cell angles | 90.00, 107.16, 90.00 |
Refinement procedure
Resolution | 45.870 - 1.790 |
R-factor | 0.163 |
Rwork | 0.163 |
R-free | 0.18100 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3spu chain C |
RMSD bond length | 0.010 |
RMSD bond angle | 1.010 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | MOLREP |
Refinement software | BUSTER (2.10.3) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 45.870 | 1.830 |
High resolution limit [Å] | 1.790 | 1.790 |
Rmerge | 0.059 | 0.648 |
Rpim | 0.044 | 0.506 |
Number of reflections | 96133 | 3895 |
<I/σ(I)> | 11.9 | 1.9 |
Completeness [%] | 97.0 | 80.4 |
Redundancy | 4.7 | 4.2 |
CC(1/2) | 0.998 | 0.817 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 293 | 100 mM Hepes (pH = 7), 500 mM (NH4)2SO4, 5 mM CoCl2-NiCl2-MgCl2-CdCl2 and 12-30% w/v PEG 3350 |