6V6N
The crystal structure of a class D beta-lactamase from Agrobacterium tumefaciens
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 | 2018-09-25 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 0.97918 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 58.119, 101.655, 108.142 |
| Unit cell angles | 90.00, 97.84, 90.00 |
Refinement procedure
| Resolution | 45.920 - 1.850 |
| R-factor | 0.2132 |
| Rwork | 0.211 |
| R-free | 0.24790 |
| Structure solution method | SAD |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.711 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | HKL-3000 |
| Refinement software | PHENIX (1.16_3549) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 46.000 | 1.870 |
| High resolution limit [Å] | 1.850 | 1.850 |
| Rmerge | 0.109 | 0.507 |
| Rmeas | 0.133 | 0.632 |
| Rpim | 0.075 | 0.369 |
| Number of reflections | 102685 | 3294 |
| <I/σ(I)> | 15.92 | 1.34 |
| Completeness [%] | 97.3 | 93.9 |
| Redundancy | 3.1 | 2.7 |
| CC(1/2) | 0.642 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 289 | 0.15 M DL-Malic acid, 20% (w/v) PEG3350 |
