5I06
tRNA-guanine Transglycosylase (TGT) in co-crystallized complex with 6-Amino-4-[2-(4-methoxyphenyl)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 | 2014-02-14 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.91841 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 84.852, 64.915, 71.174 |
| Unit cell angles | 90.00, 93.85, 90.00 |
Refinement procedure
| Resolution | 42.330 - 1.360 |
| R-factor | 0.1448 |
| Rwork | 0.143 |
| R-free | 0.17260 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1p0d |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.813 |
| 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] | 42.530 | 1.440 |
| High resolution limit [Å] | 1.360 | 1.360 |
| Rmerge | 0.484 | |
| Number of reflections | 81972 | |
| <I/σ(I)> | 17.7 | 2.6 |
| Completeness [%] | 99.1 | 97.9 |
| Redundancy | 3.8 | 3.8 |
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 |
