4FR1
tRNA-Guanine Transglycosylase cocrystallized with alkine-substituted lin-benzoguanine ligand
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 | 84.818, 64.845, 71.418 |
Unit cell angles | 90.00, 93.97, 90.00 |
Refinement procedure
Resolution | 30.000 - 1.740 |
R-factor | 0.1848 |
Rwork | 0.183 |
R-free | 0.23260 |
Starting model (for MR) | 1p0d |
RMSD bond length | 0.007 |
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] | 30.000 | 1.770 |
High resolution limit [Å] | 1.740 | 1.740 |
Number of reflections | 39417 | |
<I/σ(I)> | 13.4 | 3.3 |
Completeness [%] | 99.2 | 93 |
Redundancy | 3 | 2.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 288 | 100 MM MES, 1MM DTT, 10% DMSO, 13% PEG8000, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 288K |