2WK5
Structural features of native human thymidine phosphorylase and in complex with 5-iodouracil
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ELETTRA BEAMLINE 5.2R |
Synchrotron site | ELETTRA |
Beamline | 5.2R |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 1998-06-29 |
Detector | MAR scanner 345 mm plate |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 103.532, 77.188, 100.878 |
Unit cell angles | 90.00, 98.04, 90.00 |
Refinement procedure
Resolution | 42.610 - 2.990 |
R-factor | 0.207 |
Rwork | 0.207 |
R-free | 0.28400 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1uou |
RMSD bond length | 0.007 |
RMSD bond angle | 1.400 |
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 | 3.080 |
High resolution limit [Å] | 2.970 | 2.970 |
Rmerge | 0.140 | 0.440 |
Number of reflections | 33291 | |
<I/σ(I)> | 6.6 | 1.7 |
Completeness [%] | 90.5 | 39.6 |
Redundancy | 2.3 | 1.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 1M SODIUM-ACETATE (PH 5.2), 25% PEG 4000, 0.1M AMMONIUM ACETATE |