4QM9
Crystal Structure of a Putative Cysteine Dioxygenase From Bacillus subtilis with Cys-bound
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 5.0.1 |
| Synchrotron site | ALS |
| Beamline | 5.0.1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-10-12 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.976 |
| Spacegroup name | P 43 2 2 |
| Unit cell lengths | 65.530, 65.530, 199.360 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 46.660 - 2.300 |
| R-factor | 0.193 |
| Rwork | 0.190 |
| R-free | 0.26230 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3eqe |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.060 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHENIX |
| Refinement software | PHENIX ((phenix.refine: 1.9_1692)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.380 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.186 | 2.892 |
| Number of reflections | 20271 | |
| <I/σ(I)> | 13.4 | 1 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 23.4 | 13.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6 | 298 | Purified enzyme was concentrated to 10 mg/mL and 4 uL was mixed with 4 uL of a reservoir containing 18% (w/v) PEG 4000, 0.1 M potassium acetate, 0.05 M MES, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
