4FPS
tRNA-Guanine Transglycosylase in complex with adamantyl-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 | 2009-12-10 |
Detector | RAYONIX MX-225 |
Wavelength(s) | 0.91841 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 90.010, 64.720, 70.700 |
Unit cell angles | 90.00, 96.02, 90.00 |
Refinement procedure
Resolution | 30.000 - 1.450 |
R-factor | 0.1686 |
Rwork | 0.167 |
R-free | 0.19670 |
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 | 70951 | |
<I/σ(I)> | 16.89 | 2.09 |
Completeness [%] | 99.1 | 97.6 |
Redundancy | 2.8 | 2.7 |
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 |