6NLW
The crystal structure of class D carbapenem-hydrolyzing beta-lactamase BlaA from Shewanella oneidensis MR-1
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-BM |
| Synchrotron site | APS |
| Beamline | 19-BM |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2018-10-11 |
| Detector | ADSC QUANTUM 210r |
| Wavelength(s) | 0.97933 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 174.333, 61.391, 122.802 |
| Unit cell angles | 90.00, 119.53, 90.00 |
Refinement procedure
| Resolution | 39.029 - 1.850 |
| R-factor | 0.1854 |
| Rwork | 0.183 |
| R-free | 0.22510 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5oe0 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 0.930 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | HKL-3000 |
| Refinement software | PHENIX ((1.13_2998: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.000 | 1.880 |
| High resolution limit [Å] | 1.850 | 1.850 |
| Rmerge | 0.098 | 0.750 |
| Rmeas | 0.111 | 0.850 |
| Rpim | 0.051 | 0.396 |
| Number of reflections | 96799 | 4811 |
| <I/σ(I)> | 21.39 | 2.2 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 4.6 | 4.5 |
| CC(1/2) | 0.733 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5 | 289 | 3.15M Ammonium Sulphate, 0.1M Sodium Citrate |
