4XSC
Complex structure of thymidylate synthase from varicella zoster virus with a phosphorylated BVDU
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX2 |
Synchrotron site | Australian Synchrotron |
Beamline | MX2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2014-09-17 |
Detector | ADSC QUANTUM 210r |
Wavelength(s) | 0.9537 |
Spacegroup name | P 32 |
Unit cell lengths | 149.515, 149.515, 88.971 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 29.706 - 2.901 |
R-factor | 0.1969 |
Rwork | 0.196 |
R-free | 0.23500 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4xse |
RMSD bond length | 0.004 |
RMSD bond angle | 0.802 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 3.000 |
High resolution limit [Å] | 2.900 | 2.900 |
Rmerge | 0.097 | 0.403 |
Number of reflections | 49296 | |
<I/σ(I)> | 8.1 | 1.9 |
Completeness [%] | 96.2 | 95.3 |
Redundancy | 1.5 | 1.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.1 M Tris pH 8, 40% PEG 300 |