4KR9
Crystal structure of a 4-thiouridine synthetase - RNA complex at 3.5 Angstrom resolution
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | EMBL/DESY, HAMBURG BEAMLINE X11 |
Synchrotron site | EMBL/DESY, HAMBURG |
Beamline | X11 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2006-06-25 |
Detector | MAR CCD 165 mm |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 103.284, 113.551, 132.151 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.750 - 3.500 |
R-factor | 0.232 |
Rwork | 0.230 |
R-free | 0.26900 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.009 |
RMSD bond angle | 0.979 |
Data reduction software | MOSFLM |
Data scaling software | SCALA (3.3.16) |
Phasing software | PHASER |
Refinement software | PHENIX (1.6.1_357) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 52.165 | 3.690 |
High resolution limit [Å] | 3.474 | 3.500 |
Number of reflections | 20061 | |
<I/σ(I)> | 9.9 | 1.2 |
Completeness [%] | 99.3 | 99.9 |
Redundancy | 4.3 | 4.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 4.6 | 292 | 1 micro-liter of ThiI-RNA complex solution at 10 mg/ml in a buffer consisting of 150 mM ammonium sulfate, 20mM Tris/HCl pH 7.5 was mixed with 3 micro-liter of freshly prepared reservoir solution (2.0 M sodium formate, 100 mM sodium citrate 2 mMDTT), VAPOR DIFFUSION, SITTING DROP, temperature 292K |