1B02
CRYSTAL STRUCTURE OF THYMIDYLATE SYNTHASE A FROM BACILLUS SUBTILIS
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RU200 |
Temperature [K] | 298 |
Detector technology | IMAGE PLATE |
Collection date | 1998-07 |
Detector | RIGAKU RAXIS IV |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 55.570, 105.010, 117.260 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 100.000 - 2.500 |
R-factor | 0.194 * |
Rwork | 0.194 |
R-free | 0.23300 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1tsn |
RMSD bond length | 0.006 |
RMSD bond angle | 26.500 * |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | AMoRE |
Refinement software | X-PLOR (3.851) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 2.510 |
High resolution limit [Å] | 2.500 | 2.470 |
Rmerge | 0.094 * | 0.349 * |
Number of reflections | 23792 | |
Completeness [%] | 96.0 | 79.3 |
Redundancy | 4.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | Vapor diffusion, hanging drop * | 7 * | pH 6.25 |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | drop | B subtlis thymidine synthase | 8.4 (mg/ml) | |
2 | 1 | drop | (R,S)-CH2H4-folate | 1 (mM) | |
3 | 1 | drop | FdUMP | 3 (mM) | |
4 | 1 | drop | phosphate | 20 (mM) | |
5 | 1 | drop | dithiothreitol | 1 (mM) | |
6 | 1 | reservoir | PEG4000 | 23 (%) | |
7 | 1 | reservoir | sodium citrate | 0.1 (M) | |
8 | 1 | reservoir | ammonium acetate | 0.2 (M) | |
9 | 1 | reservoir | dithiothreitol | 10 (mM) |