4GI4
tRNA Guanine Transglycosylase in complex with disubstituted lin-benzoguanine inhibitor
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 | CCD |
| Collection date | 2012-03-15 |
| Detector | RAYONIX MX-225 |
| Wavelength(s) | 0.91841 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 89.850, 64.728, 70.650 |
| Unit cell angles | 90.00, 96.05, 90.00 |
Refinement procedure
| Resolution | 50.000 - 1.970 |
| R-factor | 0.1897 |
| Rwork | 0.188 |
| R-free | 0.24830 |
| Structure solution method | AB INITIO |
| Starting model (for MR) | 1p0d |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.020 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | CNS |
| Refinement software | SHELXL-97 |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.000 |
| High resolution limit [Å] | 1.970 | 1.970 |
| Number of reflections | 28479 | |
| <I/σ(I)> | 11.76 | 2.8 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 3.5 | 3.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 288 | 100MM MES, 1MM DTT, 10% DMSO, 13% PEG8000, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 288K |
