5ZGX
Crystal structure of NDM-1 at pH7.5 (Succinate) with 1 molecule per asymmetric unit
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 | 2013-01-03 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.93924 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 41.451, 59.885, 41.972 |
Unit cell angles | 90.00, 97.94, 90.00 |
Refinement procedure
Resolution | 33.880 - 0.950 |
R-factor | 0.1132 |
Rwork | 0.113 |
R-free | 0.12460 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3q6x |
RMSD bond length | 0.009 |
RMSD bond angle | 1.458 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 0.980 |
High resolution limit [Å] | 0.950 | 2.050 | 0.950 |
Rmerge | 0.076 | 0.063 | 0.485 |
Total number of observations | 597678 | ||
Number of reflections | 125535 | 12903 | 10978 |
<I/σ(I)> | 13.6 | ||
Completeness [%] | 98.6 | 99.9 | 86.3 |
Redundancy | 4.8 | 5.1 | 3.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 295 | 0.1M sodium succinate pH7.5, 30% PEG 3350 |