6RKT
Crystal Structure of TGT in complex with N2-methyl-1H,7H,8H-imidazo[4,5-g]quinazoline-2,6-diamine
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | BESSY BEAMLINE 14.2 |
| Synchrotron site | BESSY |
| Beamline | 14.2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-05-17 |
| Detector | DECTRIS PILATUS3 S 2M |
| Wavelength(s) | 0.9184 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 89.629, 64.588, 71.176 |
| Unit cell angles | 90.00, 93.34, 90.00 |
Refinement procedure
| Resolution | 38.895 - 1.746 |
| R-factor | 0.1712 |
| Rwork | 0.170 |
| R-free | 0.20480 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4lbu |
| RMSD bond length | 0.009 |
| RMSD bond angle | 0.997 |
| 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] | 44.738 | 1.754 |
| High resolution limit [Å] | 1.746 | 1.746 |
| Number of reflections | 40353 | 6118 |
| <I/σ(I)> | 17.56 | |
| Completeness [%] | 97.7 | 97.7 |
| Redundancy | 3.4 |
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 |
