6LHE
Crystal Structure of Gold-bound NDM-1
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL17U1 |
Synchrotron site | SSRF |
Beamline | BL17U1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-03-24 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.97918 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 70.470, 73.760, 77.720 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 50.953 - 1.206 |
R-factor | 0.1756 |
Rwork | 0.175 |
R-free | 0.18960 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5zge |
Data reduction software | XDS |
Data scaling software | Aimless (0.7.2) |
Phasing software | PHASER |
Refinement software | PHENIX (1.14_3260:000) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 70.470 | 70.470 | 1.240 |
High resolution limit [Å] | 1.206 | 5.390 | 1.210 |
Rmerge | 0.058 | 0.058 | 0.712 |
Rmeas | 0.061 | 0.063 | 0.753 |
Rpim | 0.018 | 0.023 | 0.237 |
Total number of observations | 13616 | 90239 | |
Number of reflections | 239737 | 1489 | 9087 |
<I/σ(I)> | 23 | 41.3 | 3.2 |
Completeness [%] | 99.6 | 95.3 | 99.3 |
Redundancy | 12.5 | 9.1 | 9.9 |
CC(1/2) | 0.990 | 0.974 | 0.826 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6 | 298 | PEG3350 20%, 0.1M ammonium sulfate, 0.1M MES pH 6.0 |