5XP9
Crystal structure of Bismuth 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 | CCD |
Collection date | 2015-12-10 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.92 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 41.595, 60.185, 41.796 |
Unit cell angles | 90.00, 98.95, 90.00 |
Refinement procedure
Resolution | 41.290 - 1.550 |
R-factor | 0.164 |
Rwork | 0.163 |
R-free | 0.19400 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3Q6X |
RMSD bond length | 0.010 |
RMSD bond angle | 1.383 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.610 |
High resolution limit [Å] | 1.550 | 1.550 |
Rmerge | 0.116 | 0.697 |
Number of reflections | 28178 | |
<I/σ(I)> | 9.6 | |
Completeness [%] | 95.5 | 94.2 |
Redundancy | 7 | 6.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 298 | 0.1M Bis-Tris pH5.5, 15%PEG33500, 20mM L-Proline |