8SCD
Crystal structure of sulfonamide resistance enzyme Sul3 in complex with reaction intermediate
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 | 2019-04-11 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.978 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 123.831, 123.831, 72.797 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 47.160 - 2.060 |
| R-factor | 0.1648 |
| Rwork | 0.164 |
| R-free | 0.18810 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.491 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.20_4459) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.110 |
| High resolution limit [Å] | 2.060 | 2.070 |
| Rmerge | 0.137 | 3.178 |
| Rpim | 0.032 | 0.795 |
| Number of reflections | 39930 | 1987 |
| <I/σ(I)> | 20.58 | 1.13 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 19.5 | 16.9 |
| CC(1/2) | 0.999 | 0.504 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 298 | 2 M AMMONIUM SULFATE, 5% ISOPROPANOL, 1.7 MM 6-HYDROXYMETHYL-7,8-DIHYDROPTEROATE PYROPHOSPHATE, 10 MM PABA |
