4Q4S
tRNA-Guanine Transglycosylase (TGT) in Complex with 6-Amino-2-[(thiophen-2-ylmethyl)amino]-1H,7H,8H-imidazo[4,5-g]quinazolin-8-one
Replaces: 3C2ZExperimental 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 | CCD |
| Collection date | 2010-12-14 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.91841 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 90.923, 64.855, 70.531 |
| Unit cell angles | 90.00, 95.92, 90.00 |
Refinement procedure
| Resolution | 22.612 - 1.249 |
| R-factor | 0.1327 |
| Rwork | 0.132 |
| R-free | 0.17170 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1pud |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.979 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX ((phenix.refine: 1.8.4_1496)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 1.270 |
| High resolution limit [Å] | 1.250 | 1.250 |
| Number of reflections | 109841 | |
| <I/σ(I)> | 19 | 2.1 |
| Completeness [%] | 97.5 | 98.8 |
| Redundancy | 2.4 | 2.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 291.15 | 100 mM MES, 10% DMSO, 13% PEG 8000, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 291.15K |
