7S2L
Crystal structure of sulfonamide resistance enzyme Sul3 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 | 2019-02-01 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.978 |
Spacegroup name | P 65 2 2 |
Unit cell lengths | 123.804, 123.804, 434.424 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 30.000 - 2.790 |
R-factor | 0.2277 |
Rwork | 0.226 |
R-free | 0.27000 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1aj0 |
RMSD bond length | 0.005 |
RMSD bond angle | 0.771 |
Data reduction software | HKL-3000 |
Data scaling software | HKL-3000 |
Phasing software | PHENIX |
Refinement software | phenix.refine (1.19.2_4158) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 2.850 |
High resolution limit [Å] | 2.800 | 2.800 |
Rmerge | 0.311 | 3.630 |
Rpim | 0.060 | 0.815 |
Number of reflections | 49842 | 2422 |
<I/σ(I)> | 16.38 | 1.06 |
Completeness [%] | 100.0 | 100 |
Redundancy | 27.2 | 19.7 |
CC(1/2) | 0.998 | 0.587 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 298 | 2 M ammonium sulfate, 0.1 M HEPES, pH 7.5, 2% w/v PEG400, 1% ethylene glycol |