6X1H
Crystal structure of a guanine nucleotide exchange factor (GEF) domain from the Orientia tsutsugamushi protein OtDUB
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 EIGER2 X 16M |
| Wavelength(s) | 0.98 |
| Spacegroup name | P 63 |
| Unit cell lengths | 110.533, 110.533, 251.240 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 47.860 - 2.910 |
| R-factor | 0.1683 |
| Rwork | 0.166 |
| R-free | 0.20820 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6x1g |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.657 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.950 |
| High resolution limit [Å] | 2.900 | 7.860 | 2.900 |
| Rmerge | 0.116 | 0.057 | 1.948 |
| Rmeas | 0.123 | 0.061 | 2.107 |
| Rpim | 0.042 | 0.021 | 0.793 |
| Total number of observations | 316801 | ||
| Number of reflections | 37764 | 1922 | 1863 |
| <I/σ(I)> | 4.6 | ||
| Completeness [%] | 100.0 | 99.8 | 100 |
| Redundancy | 8.4 | 8.7 | 6.8 |
| CC(1/2) | 0.997 | 0.288 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | MICROBATCH | 7 | 293 | 2.4 M sodium malonate pH 7.0 |
