5I03
tRNA-guanine Transglycosylase (TGT) in co-crystallized complex with 6-Amino-4-[2-(4-methylphenyl)ethyl]-1,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one
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 | 2015-02-07 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.91841 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 85.140, 64.641, 71.017 |
| Unit cell angles | 90.00, 93.60, 90.00 |
Refinement procedure
| Resolution | 42.486 - 1.730 |
| R-factor | 0.1821 |
| Rwork | 0.181 |
| R-free | 0.20180 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1p0d |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.830 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.10.1-2155_1492) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 42.490 | 1.830 |
| High resolution limit [Å] | 1.730 | 1.730 |
| Rmerge | 0.484 | |
| Number of reflections | 38683 | |
| <I/σ(I)> | 14.5 | 2.2 |
| Completeness [%] | 95.7 | 94.9 |
| Redundancy | 2.9 | 2.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 288 | 13% PEG 8000,100mM MES, 1mM DTT, 10% DMSO |
