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 |