5XKC
Crystal structure of dibenzothiophene sulfone monooxygenase BdsA at 2.2 angstrome
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 | 2012-04-05 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.987 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 132.494, 174.574, 85.345 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 44.883 - 2.209 |
R-factor | 0.1766 |
Rwork | 0.175 |
R-free | 0.21300 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3b9n |
RMSD bond length | 0.007 |
RMSD bond angle | 1.030 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | PHENIX (1.6.4_486) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.280 |
High resolution limit [Å] | 2.200 | 2.200 |
Number of reflections | 98498 | |
<I/σ(I)> | 33.89 | 4.72 |
Completeness [%] | 99.9 | 100 |
Redundancy | 6.7 | 6.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | 0.1 M Sodium citrate pH 5.5, 35% PEG 200 |