4JR4
Crystal structure of Mtb DsbA (Oxidized)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PHOTON FACTORY BEAMLINE BL-17A |
Synchrotron site | Photon Factory |
Beamline | BL-17A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2012-06-11 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.98000 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 46.692, 75.009, 119.743 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 46.793 - 2.498 |
R-factor | 0.1992 |
Rwork | 0.198 |
R-free | 0.22290 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.004 |
RMSD bond angle | 0.826 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Refinement software | PHENIX (1.7_650) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.590 |
High resolution limit [Å] | 2.498 | 5.380 | 2.500 |
Rmerge | 0.141 | 0.073 | 0.519 |
Number of reflections | 14886 | ||
<I/σ(I)> | 8.6 | ||
Completeness [%] | 97.7 | 99.9 | 97.8 |
Redundancy | 6.6 | 6.2 | 6.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4.3 | 298 | 28% PEG 2000, 0.2M Ammonium Sulfate, 0.1M Sodium Acetate trihydrate, pH 4.3, vapor diffusion, hanging drop, temperature 298K |