3RR4
tRNA-Guanine Transglycosylase in complex with N-Methyl-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 | 2010-02-26 |
Detector | RAYONIX MX-225 |
Wavelength(s) | 0.91841 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 90.671, 64.754, 70.457 |
Unit cell angles | 90.00, 95.99, 90.00 |
Refinement procedure
Resolution | 30.000 - 1.680 |
R-factor | 0.1602 |
Rwork | 0.159 |
R-free | 0.20040 |
Structure solution method | AB INITIO PHASING |
Starting model (for MR) | 1p0d |
RMSD bond length | 0.007 |
RMSD bond angle | 0.024 |
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 | 1.710 |
High resolution limit [Å] | 1.680 | 1.680 |
Number of reflections | 45107 | |
<I/σ(I)> | 19.5 | 3.2 |
Completeness [%] | 96.3 | 90.9 |
Redundancy | 2.9 | 2.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 288 | 100MM TRIS HCL, 1MM DTT, 10% DMSO, 5% PEG 8000, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 288K |