5UTJ
Crystal Structure of TGT in complex with 2,6-dioxy-8-azapurine, 2,6-dioxy-8-azapurine, 2,6-dioxy-8-azapurine
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 | 2016-03-12 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9184 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 89.142, 64.759, 70.451 |
| Unit cell angles | 90.00, 93.15, 90.00 |
Refinement procedure
| Resolution | 44.503 - 1.549 |
| R-factor | 0.1488 |
| Rwork | 0.147 |
| R-free | 0.17660 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4lbu |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.949 |
| 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] | 44.503 | 1.640 |
| High resolution limit [Å] | 1.549 | 1.550 |
| Rmerge | 0.556 | |
| Number of reflections | 58080 | |
| <I/σ(I)> | 15.35 | 2.1 |
| Completeness [%] | 99.7 | 99.4 |
| Redundancy | 3.8 | 3.7 |
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 |
