6WGP
The crystal structure of a beta lactamase from Xanthomonas campestris pv. campestris str. ATCC 33913
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 | 2020-03-04 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 0.97918 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 97.262, 66.894, 43.895 |
| Unit cell angles | 90.00, 112.66, 90.00 |
Refinement procedure
| Resolution | 44.880 - 1.500 |
| R-factor | 0.1608 |
| Rwork | 0.160 |
| R-free | 0.18600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5x5g |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.024 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | HKL-3000 |
| Refinement software | PHENIX (1.17.1_3660) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 45.000 | 1.530 |
| High resolution limit [Å] | 1.500 | 1.500 |
| Rmerge | 0.102 | 0.483 |
| Rmeas | 0.114 | 0.565 |
| Rpim | 0.050 | 0.282 |
| Number of reflections | 40433 | 1682 |
| <I/σ(I)> | 32.3 | 2.25 |
| Completeness [%] | 97.4 | 80.9 |
| Redundancy | 5.1 | 3 |
| CC(1/2) | 0.989 | 0.788 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 289 | 0.2 M sodium chloride 0.1 M Tris:HCl 1.0 M sodium citrate |
