6C6I
Crystal structure of a chimeric NDM-1 metallo-beta-lactamase harboring the IMP-1 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 | 2016-07-16 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.97857 |
Spacegroup name | P 1 |
Unit cell lengths | 38.289, 39.250, 73.873 |
Unit cell angles | 90.89, 93.10, 90.02 |
Refinement procedure
Resolution | 24.160 - 1.650 |
R-factor | 0.204 |
Rwork | 0.203 |
R-free | 0.22900 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4hl2 |
RMSD bond length | 0.010 |
RMSD bond angle | 1.020 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | MOLREP |
Refinement software | BUSTER (2.10.2) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 34.720 | 1.680 |
High resolution limit [Å] | 1.650 | 1.650 |
Rmeas | 0.141 | 0.516 |
Rpim | 0.100 | 0.365 |
Number of reflections | 49940 | 4798 |
<I/σ(I)> | 5.3 | 2.1 |
Completeness [%] | 96.6 | 94.8 |
Redundancy | 2 | 2 |
CC(1/2) | 0.992 | 0.787 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.55 | 293 | 1.35 M ammonium sulfate. 0.1 M HEPES pH 7.55, 0.1 M sodium chloride, microseeding |