5XKD
Crystal structure of dibenzothiophene sulfone monooxygenase BdsA in complex with FMN at 2.4 angstrom
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL17U1 |
| Synchrotron site | SSRF |
| Beamline | BL17U1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-11-08 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.985 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 131.616, 175.890, 84.934 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 48.250 - 2.393 |
| R-factor | 0.1831 |
| Rwork | 0.181 |
| R-free | 0.22110 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5xkc |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.407 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.490 |
| High resolution limit [Å] | 2.400 | 2.400 |
| Number of reflections | 78295 | |
| <I/σ(I)> | 29.05 | 4.21 |
| Completeness [%] | 99.9 | 99.9 |
| Redundancy | 6.8 | 6.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | soaked in the solution containing 0.1M Sodium citrate pH 5.5, 35% PEG 200, 1mM FMN for 30 min |
