7S2J
Crystal structure of sulfonamide resistance enzyme Sul2 apoenzyme
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 | 2019-12-05 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.97951 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 39.819, 143.293, 85.893 |
| Unit cell angles | 90.00, 90.51, 90.00 |
Refinement procedure
| Resolution | 42.940 - 1.850 |
| R-factor | 0.1623 |
| Rwork | 0.161 |
| R-free | 0.20690 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1aj0 |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.895 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.880 |
| High resolution limit [Å] | 1.850 | 1.850 |
| Rmerge | 0.105 | 0.690 |
| Rpim | 0.043 | 0.328 |
| Number of reflections | 81585 | 4084 |
| <I/σ(I)> | 19.34 | 2.07 |
| Completeness [%] | 99.4 | 99.3 |
| Redundancy | 6.6 | 6.2 |
| CC(1/2) | 0.711 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 298 | 1.6 M ammonium sulfate, 2% hexanediol, 0.1 M HEPES, pH 7.5 |
