1SYN
E. COLI THYMIDYLATE SYNTHASE IN COMPLEX WITH BW1843U89 AND 2'-DEOXYURIDINE 5'-MONOPHOSPHATE (DUMP)
Experimental procedure
Detector technology | IMAGE PLATE |
Collection date | 1995-05-21 |
Detector | RIGAKU |
Wavelength(s) | 1.5418 |
Spacegroup name | P 63 |
Unit cell lengths | 127.346, 127.346, 68.164 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 6.000 - 2.000 |
R-factor | 0.197 * |
Rwork | 0.196 |
R-free | 0.25800 |
RMSD bond length | 0.013 |
RMSD bond angle | 2.760 * |
Data reduction software | HKL ((DENZO)) |
Data scaling software | HKL ((SCALEPACK)) |
Phasing software | X-PLOR (3.1) |
Refinement software | X-PLOR (3.1) |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 50.000 |
High resolution limit [Å] | 2.000 |
Rmerge | 0.124 |
Total number of observations | 213321 * |
Number of reflections | 42720 * |
Completeness [%] | 82.4 |
Redundancy | 3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | Vapor diffusion, hanging drop * | 7.8 * |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | drop | E. coli TS | 4.2 (mg/ml) | |
2 | 1 | drop | dUMP | 0.38 (mM) | |
3 | 1 | drop | BW1843U89 | 1.0 (mM) | |
4 | 1 | drop | dithiothreitol | 3.8 (mM) | |
5 | 1 | drop | ammonium sulfate | 1.2 (M) | pH7.8 |
6 | 1 | drop | potassium phosphate | 20 (mM) | used to stabilized the pH |
7 | 1 | reservoir | ammonium sulfate | 2.4 (M) | |
8 | 1 | reservoir | dithiothreitol | 1.0 (mM) |