6X1G
Crystal structure of a GEF domain from the Orientia tsutsugamushi protein OtDUB in complex with Rac1
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 | 2019-06-07 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.98 |
| Spacegroup name | P 1 |
| Unit cell lengths | 50.063, 54.160, 94.004 |
| Unit cell angles | 83.37, 76.34, 62.52 |
Refinement procedure
| Resolution | 48.050 - 1.600 |
| R-factor | 0.1828 |
| Rwork | 0.181 |
| R-free | 0.21820 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1foe |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.808 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.630 |
| High resolution limit [Å] | 1.600 | 4.340 | 1.600 |
| Rmerge | 0.038 | 0.025 | 0.731 |
| Rmeas | 0.053 | 0.035 | 1.033 |
| Rpim | 0.038 | 0.025 | 0.731 |
| Total number of observations | 151064 | ||
| Number of reflections | 92107 | 4935 | 4510 |
| <I/σ(I)> | 10.4 | ||
| Completeness [%] | 81.7 | 87.4 | 80.2 |
| Redundancy | 1.6 | 1.7 | 1.6 |
| CC(1/2) | 0.996 | 0.295 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | MICROBATCH | 9.5 | 293 | 25 mM CHES pH 9.5, 25% (w/v) PEG 8000 |
