2VET
CRYSTAL STRUCTURE OF THE THYMIDYLATE SYNTHASE K48Q COMPLEXED WITH DUMP
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Temperature [K] | 298 |
Detector technology | AREA DETECTOR |
Collection date | 1999-11-22 |
Detector | ENRAF-NONIUS |
Spacegroup name | I 21 3 |
Unit cell lengths | 132.870, 132.870, 132.870 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 15.050 - 2.200 |
R-factor | 0.185 |
Rwork | 0.185 |
R-free | 0.20500 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | PDB ENTRIES 1FFL AND 1FWM |
RMSD bond length | 0.010 |
RMSD bond angle | 1.800 |
Data reduction software | MADNESS |
Data scaling software | Agrovata |
Phasing software | X-PLOR |
Refinement software | CNS (1.2) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 95.350 | |
High resolution limit [Å] | 2.150 | |
Rmerge | 0.090 | |
Number of reflections | 21347 | |
Completeness [%] | 91.5 | 76.6 |
Redundancy | 4.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 7.5 | 20 MM POTASSIUM PHOSPHATE BUFFER, 4 MM DTT AND INCREMENTS IN AMMONIUM SULFATE FROM 2.05 TO 2.6 M, PH 7.5 TO 8 |