7K9C
Crystal structure of Bacillus halodurans OapB (iodine-derivative) at 1.0 A
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 24-ID-C |
| Synchrotron site | APS |
| Beamline | 24-ID-C |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-08-17 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.8266 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 47.904, 34.912, 49.637 |
| Unit cell angles | 90.00, 90.15, 90.00 |
Refinement procedure
| Resolution | 49.637 - 1.000 |
| R-factor | 0.1488 |
| Rwork | 0.148 |
| R-free | 0.16280 |
| Structure solution method | SIRAS |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | AutoSol |
| Refinement software | PHENIX (1.16_3549) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 49.700 | 1.040 |
| High resolution limit [Å] | 1.000 | 1.000 |
| Rmerge | 0.060 | 0.932 |
| Rmeas | 0.069 | 1.072 |
| Rpim | 0.033 | 0.519 |
| Number of reflections | 85634 | 8108 |
| <I/σ(I)> | 11.2 | 1.4 |
| Completeness [%] | 96.4 | 92 |
| Redundancy | 4.2 | 4 |
| CC(1/2) | 0.999 | 0.573 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 292 | 50 mM Tris-HCl (pH 8.5), 100 mM KCl, 10 mM MgCl2 and 30% polyethylene glycol (PEG) 400 |
