7XHW
Crystal structure of metallo-beta-lactamase IMP-1
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SPRING-8 BEAMLINE BL44XU |
Synchrotron site | SPring-8 |
Beamline | BL44XU |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2021-04-14 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.9 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 49.321, 78.332, 259.945 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 46.110 - 1.940 |
R-factor | 0.25136 |
Rwork | 0.249 |
R-free | 0.29163 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1ddk |
RMSD bond length | 0.008 |
RMSD bond angle | 1.510 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.060 |
High resolution limit [Å] | 1.940 | 1.940 |
Number of reflections | 75269 | 11934 |
<I/σ(I)> | 6.89 | |
Completeness [%] | 99.8 | |
Redundancy | 6.6 | |
CC(1/2) | 0.993 | 0.937 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5 | 288 | 0.1 M sodium acetate, 0.2 M ammonium acetate, 22% PEG 8000 |