6RKQ
Crystal Structure of TGT in complex with N2-methyl-8-(prop-1-yn-1-yl)-3H,7H,8H-imidazo[4,5-g]quinazoline-2,6-diamine
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | BESSY BEAMLINE 14.1 |
| Synchrotron site | BESSY |
| Beamline | 14.1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-08-30 |
| Detector | DECTRIS PILATUS3 S 2M |
| Wavelength(s) | 0.9184 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 90.505, 64.819, 71.467 |
| Unit cell angles | 90.00, 93.11, 90.00 |
Refinement procedure
| Resolution | 43.033 - 1.665 |
| R-factor | 0.1646 |
| Rwork | 0.163 |
| R-free | 0.19380 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4lbu |
| RMSD bond length | 0.009 |
| RMSD bond angle | 0.985 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.10.1_2155: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 45.186 | 1.673 |
| High resolution limit [Å] | 1.665 | 1.665 |
| Number of reflections | 47621 | 7421 |
| <I/σ(I)> | 14.08 | |
| Completeness [%] | 98.3 | 95.7 |
| Redundancy | 3.8 | 3.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 289 | 13% PEG 8000, 100MM MES, 1MM DTT, 10% DMSO |
