9ESD
Holo TDO with a bound inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06DA |
| Synchrotron site | SLS |
| Beamline | X06DA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2015-12-16 |
| Detector | DECTRIS PILATUS 2M |
| Wavelength(s) | 1.00 |
| Spacegroup name | P 63 |
| Unit cell lengths | 143.736, 143.736, 141.218 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 47.050 - 2.103 |
| R-factor | 0.2336 |
| Rwork | 0.233 |
| R-free | 0.25500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.810 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.11.8) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 47.100 | 2.230 |
| High resolution limit [Å] | 2.103 | 2.103 |
| Rmeas | 0.149 | 2.230 |
| Number of reflections | 189538 | 30427 |
| <I/σ(I)> | 8.24 | 0.69 |
| Completeness [%] | 99.9 | |
| Redundancy | 5.2 | |
| CC(1/2) | 0.997 | 0.225 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 1.0M Na Malonate pH 5.00, 0.1M Na Acetate pH4.50, 2% PEG 20,000 |
