5TFQ
Crystal structure of a representative of class A beta-lactamase from Bacteroides cellulosilyticus DSM 14838
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-03-23 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9794 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 55.837, 62.808, 87.058 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 40.000 - 1.070 |
| R-factor | 0.11573 |
| Rwork | 0.115 |
| R-free | 0.13400 |
| Structure solution method | SAD |
| RMSD bond length | 0.019 |
| RMSD bond angle | 1.851 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | SHELXCD |
| Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 40.000 |
| High resolution limit [Å] | 1.070 |
| Rmerge | 0.062 |
| Number of reflections | 133512 |
| <I/σ(I)> | 35 |
| Completeness [%] | 98.9 |
| Redundancy | 6.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8 | 291 | 0.4 M NaH2PO4/1.6 M K2HPO4 0.1 M Imidazole:HCl pH 8.0 0.2 M Sodium Chloride |
