4GH1
tRNA Guanine Transglycosylase in complex with morpholine substituted lin-benzohypoxanthine 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 | 2010-10-19 |
| Detector | RAYONIX MX-225 |
| Wavelength(s) | 0.91841 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 90.879, 64.857, 71.138 |
| Unit cell angles | 90.00, 96.37, 90.00 |
Refinement procedure
| Resolution | 30.000 - 1.450 |
| R-factor | 0.1744 |
| Rwork | 0.174 |
| R-free | 0.20620 |
| Structure solution method | AB INITIO PHASING |
| Starting model (for MR) | 1p0d |
| RMSD bond length | 0.010 |
| RMSD bond angle | 0.027 |
| 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] | 30.000 | 1.480 |
| High resolution limit [Å] | 1.450 | 1.450 |
| Number of reflections | 72023 | |
| <I/σ(I)> | 25.3 | 3.8 |
| Completeness [%] | 99.0 | 92.6 |
| Redundancy | 2.7 | 2.5 |
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 |
