1BO8
THYMIDYLATE SYNTHASE R178T MUTANT
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RU300 |
Temperature [K] | 293 |
Detector technology | AREA DETECTOR |
Collection date | 1995-07-15 |
Detector | SIEMENS |
Spacegroup name | P 61 2 2 |
Unit cell lengths | 78.500, 78.500, 241.700 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 7.000 - 2.400 |
R-factor | 0.196 |
Rwork | 0.196 |
R-free | 0.24700 * |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1TDM |
RMSD bond length | 0.006 * |
RMSD bond angle | 1.400 * |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | X-PLOR |
Refinement software | X-PLOR (3.8) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.500 |
High resolution limit [Å] | 2.400 | 2.400 |
Rmerge | 0.081 | 0.620 * |
Number of reflections | 17212 | |
<I/σ(I)> | 15.4 | 2 |
Completeness [%] | 94.7 * | 87.1 |
Redundancy | 3.5 | 3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | Vapor diffusion * | 7 | pH 7.0 |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | drop | protein | 10 (mg/ml) | |
2 | 1 | drop | potassium phosphate | 20 (mM) | |
3 | 1 | reservoir | potassium phosphate | 20 (mM) | |
4 | 1 | reservoir | ammonium sulfate | 20 (mM) | |
5 | 1 | reservoir | dUMP | 38 (mM) |