4JEF
Crystal structure of human thymidylate synthase Y202A in inactive conformation.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 8.3.1 |
| Synchrotron site | ALS |
| Beamline | 8.3.1 |
| Temperature [K] | 273 |
| Detector technology | CCD |
| Collection date | 2008-08-22 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.115879 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 95.955, 95.955, 82.649 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 37.002 - 2.311 |
| R-factor | 0.1867 |
| Rwork | 0.185 |
| R-free | 0.22160 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.128 |
| Data reduction software | DENZO |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX ((phenix.refine: 1.7.1_743)) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 37.002 |
| High resolution limit [Å] | 2.310 |
| Rmerge | 0.063 |
| Number of reflections | 19623 |
| <I/σ(I)> | 25.1 |
| Completeness [%] | 98.6 |
| Redundancy | 6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 6.5 | 293 | 2.0 M ammonium sulphate, 20 uM beta-ME, 0.1 M Mes, 5% (w/v) Peg 400, pH 6.5, VAPOR DIFFUSION, temperature 293.0K |
