7VQJ
Crystal structure of NDM-1 in complex with hydrolyzed 1u.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL18U1 |
Synchrotron site | SSRF |
Beamline | BL18U1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-10-09 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.9791 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 39.385, 74.188, 147.982 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 38.060 - 2.450 |
R-factor | 0.1977 |
Rwork | 0.195 |
R-free | 0.25200 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5ypn |
RMSD bond length | 0.008 |
RMSD bond angle | 1.208 |
Data reduction software | HKL-3000 |
Data scaling software | HKL-3000 |
Phasing software | PHASER |
Refinement software | PHENIX (1.18.1_3865) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.480 |
High resolution limit [Å] | 2.440 | 2.440 |
Rmerge | 0.153 | 0.718 |
Rpim | 0.095 | 0.408 |
Number of reflections | 16684 | 784 |
<I/σ(I)> | 6.42 | 1.3 |
Completeness [%] | 99.4 | 95.1 |
Redundancy | 5.4 | 4.1 |
CC(1/2) | 0.986 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | PEG 3350, ammonium sulfate |