4UP1
Crystal structure of native human Thymidylate synthase in active form
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID29 |
| Synchrotron site | ESRF |
| Beamline | ID29 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-07-05 |
| Detector | ADSC QUANTUM 315r |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 91.790, 106.460, 101.500 |
| Unit cell angles | 90.00, 108.99, 90.00 |
Refinement procedure
| Resolution | 46.550 - 2.991 |
| R-factor | 0.2156 |
| Rwork | 0.214 |
| R-free | 0.24440 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1ypv |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.773 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | PHENIX ((PHENIX.REFINE)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 46.550 | 3.100 |
| High resolution limit [Å] | 2.990 | 2.990 |
| Rmerge | 0.070 | 0.560 |
| Number of reflections | 34338 | |
| <I/σ(I)> | 14.11 | 1.75 |
| Completeness [%] | 91.7 | 65 |
| Redundancy | 2.4 | 2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 25% PEG 4000 30MM AMMONIUM SULFATE 20MM B-MERCAPTOETHANOL 100MM TRIS-HCL PH 9 |
