2VF0
CRYSTAL STRUCTURE OF THE THYMIDYLATE SYNTHASE K48Q COMPLEXED WITH 5NO2DUMP AND BW1843U89
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | ENRAF-NONIUS FR571 |
| Temperature [K] | 298 |
| Detector technology | AREA DETECTOR |
| Collection date | 1999-11-22 |
| Detector | ENRAF-NONIUS |
| Spacegroup name | P 63 |
| Unit cell lengths | 127.160, 127.160, 67.950 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 33.980 - 3.000 |
| R-factor | 0.18 |
| Rwork | 0.180 |
| R-free | 0.23900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | PDB ENTRIES 1FFL AND 1FWM |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.400 |
| Data reduction software | MADNESS |
| Data scaling software | Agrovata |
| Phasing software | X-PLOR |
| Refinement software | CNS (1.2) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 35.580 |
| High resolution limit [Å] | 2.700 |
| Rmerge | 0.170 |
| Number of reflections | 15793 |
| <I/σ(I)> | 3.7 |
| Completeness [%] | 95.1 |
| Redundancy | 4.7 |
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 |
