4N4D
Structure of ThiT with AV-38 bound
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-1 |
| Synchrotron site | ESRF |
| Beamline | ID23-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2013-06-14 |
| Detector | PSI PILATUS 6M |
| Wavelength(s) | 0.97625 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 63.160, 84.260, 127.250 |
| Unit cell angles | 90.00, 94.17, 90.00 |
Refinement procedure
| Resolution | 42.304 - 2.400 |
| R-factor | 0.2071 |
| Rwork | 0.204 |
| R-free | 0.25680 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3rlb |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.480 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | PHENIX ((phenix.refine: 1.8.2_1309)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 42.304 | |
| High resolution limit [Å] | 2.400 | 2.400 |
| Number of reflections | 25926 | |
| Completeness [%] | 98.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 298 | 0.15 M ammonium nitrate, 20% PEG3350, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
