4JR6
Crystal structure of DsbA from Mycobacterium tuberculosis (reduced)
Experimental procedure
| Experimental method | SAD |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE BL-5A |
| Synchrotron site | Photon Factory |
| Beamline | BL-5A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-11-12 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 0.97989 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 46.875, 74.935, 119.893 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 33.123 - 1.902 |
| R-factor | 0.1682 |
| Rwork | 0.166 |
| R-free | 0.20630 |
| Structure solution method | SAD |
| RMSD bond length | 0.019 |
| RMSD bond angle | 1.352 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | SOLVE |
| Refinement software | PHENIX (1.7_650) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.970 |
| High resolution limit [Å] | 1.900 | 4.090 | 1.900 |
| Rmerge | 0.128 | 0.098 | 0.439 |
| Number of reflections | 63755 | ||
| <I/σ(I)> | 13.5 | ||
| Completeness [%] | 99.9 | 99.3 | 100 |
| Redundancy | 6.9 | 5.9 | 7.2 |
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 |
