7F2Y
Crystal structure of OxdB E85A mutant (form I)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL44XU |
| Synchrotron site | SPring-8 |
| Beamline | BL44XU |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-05-28 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.90000 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 48.306, 63.774, 59.246 |
| Unit cell angles | 90.00, 94.22, 90.00 |
Refinement procedure
| Resolution | 36.060 - 1.550 |
| R-factor | 0.17455 |
| Rwork | 0.172 |
| R-free | 0.19896 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3a15 |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.844 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 36.060 | 1.610 |
| High resolution limit [Å] | 1.550 | 1.550 |
| Rmerge | 0.032 | 0.518 |
| Rmeas | 0.038 | 0.615 |
| Rpim | 0.020 | 0.328 |
| Number of reflections | 51535 | 5040 |
| <I/σ(I)> | 19.1 | 2.06 |
| Completeness [%] | 99.3 | 97.64 |
| Redundancy | 3.4 | 3.5 |
| CC(1/2) | 0.999 | 0.733 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 30 % (w/v) polyethylene glycol 4,000, 0.1 M Tris pH8.5, and 0.2 M magnesium chloride |
