2CFA
Structure of viral flavin-dependant thymidylate synthase ThyX
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-2 |
| Synchrotron site | ESRF |
| Beamline | ID14-2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2003-08-02 |
| Detector | ADSC CCD |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 69.264, 76.991, 93.437 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 - 2.300 |
| R-factor | 0.215 |
| Rwork | 0.213 |
| R-free | 0.26200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1kq4 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.310 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.500 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.090 | 0.320 |
| Number of reflections | 22844 | |
| <I/σ(I)> | 14.1 | 5.93 |
| Completeness [%] | 99.2 | 97.4 |
| Redundancy | 4.8 | 4.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 8.5 | 10MG/ML PROTEIN, 10% PEG 400 0.1M MGCL2, 18% ISOPROPANOL, 5% PEG MME 550, pH 8.50 |
