4GIY
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 | 2012-04-24 |
| Detector | RAYONIX MX-225 |
| Wavelength(s) | 0.91841 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 85.007, 64.663, 71.338 |
| Unit cell angles | 90.00, 94.09, 90.00 |
Refinement procedure
| Resolution | 50.000 - 1.750 |
| R-factor | 0.1961 |
| Rwork | 0.195 |
| R-free | 0.23170 |
| Structure solution method | AB INITIO |
| Starting model (for MR) | 1p0d |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.022 |
| 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 | 1.780 |
| High resolution limit [Å] | 1.750 | 1.750 |
| Number of reflections | 38282 | |
| <I/σ(I)> | 11.2 | 3.3 |
| Completeness [%] | 98.2 | 99.8 |
| Redundancy | 2.9 | 2.9 |
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 |
