6RMF
Crystal structure of NDM-1 with VNRX-5133
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I24 |
Synchrotron site | Diamond |
Beamline | I24 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-03-28 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.96863 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 70.821, 73.837, 77.681 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 42.698 - 1.510 |
R-factor | 0.147 |
Rwork | 0.146 |
R-free | 0.17240 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3spu |
RMSD bond length | 0.009 |
RMSD bond angle | 0.948 |
Data reduction software | DIALS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX ((1.15.2_3472: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 52.340 | 1.540 |
High resolution limit [Å] | 1.510 | 1.510 |
Rpim | 0.103 | 1.304 |
Number of reflections | 64647 | 3144 |
<I/σ(I)> | 8 | 2.3 |
Completeness [%] | 100.0 | 100 |
Redundancy | 11.9 | 11.6 |
CC(1/2) | 0.990 | 0.421 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 292 | 0.1M bis-tris pH 5.8, 32% PEG 3350, 0.15M NH4SO4 |