5UM7
Crystal structure of the reduced state of the thiol-disulfide reductase SdbA from Streptococcus gordonii
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 HF |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2015-08-28 |
| Detector | RIGAKU RAXIS IV++ |
| Wavelength(s) | 1.5418 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 49.250, 49.320, 196.540 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 28.426 - 1.620 |
| R-factor | 0.2465 |
| Rwork | 0.238 |
| R-free | 0.29200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2f9s |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.560 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | BALBES |
| Refinement software | PHENIX ((dev_2481: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 28.430 | 1.660 |
| High resolution limit [Å] | 1.620 | 1.620 |
| Rmerge | 0.088 | 0.102 |
| Rpim | 0.065 | 0.082 |
| Number of reflections | 30533 | 2076 |
| <I/σ(I)> | 14.9 | 10.2 |
| Completeness [%] | 98.6 | 90.2 |
| Redundancy | 4.9 | 4.1 |
| CC(1/2) | 0.992 | 0.958 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4.6 | 298 | 2.5 M ammonium sulfate, 0.1 M sodium acetate pH 4.6 |
