2J0F
Structural basis for non-competitive product inhibition in human thymidine phosphorylase: implication for drug design
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | MAR345 |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2005-10-15 |
Detector | MARRESEARCH |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 103.078, 76.087, 99.575 |
Unit cell angles | 90.00, 98.61, 90.00 |
Refinement procedure
Resolution | 102.060 - 2.310 |
R-factor | 0.248 |
Rwork | 0.246 |
R-free | 0.28700 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1uou |
RMSD bond length | 0.009 |
RMSD bond angle | 1.247 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | MOLREP |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 2.380 |
High resolution limit [Å] | 2.300 | 2.300 |
Rmerge | 0.120 | |
Number of reflections | 63091 | |
<I/σ(I)> | 18.2 | |
Completeness [%] | 99.3 | 99 |
Redundancy | 8.6 | 8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 7 | 20% GLYCEROL, 20% PEG3350, pH 7.00 |