2WK6
Structural features of native human thymidine phosphorylase and in complex with 5-iodouracil
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | MAX II BEAMLINE I711 |
Synchrotron site | MAX II |
Beamline | I711 |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2000-02-02 |
Detector | MAR scanner 345 mm plate |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 61.911, 67.266, 212.274 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 46.590 - 2.500 |
R-factor | 0.227 |
Rwork | 0.227 |
R-free | 0.28300 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1uou |
RMSD bond length | 0.007 |
RMSD bond angle | 1.300 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | MOLREP |
Refinement software | CNS (1.2) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.590 |
High resolution limit [Å] | 2.500 | 2.500 |
Rmerge | 0.050 | 0.180 |
Number of reflections | 33589 | |
<I/σ(I)> | 22 | 5.9 |
Completeness [%] | 94.5 | 69.6 |
Redundancy | 4.4 | 2.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 2.8-3.5 M SODIUM-FORMATE, 100 MM 5-IUR |