1TLS
THYMIDYLATE SYNTHASE TERNARY COMPLEX WITH FDUMP AND METHYLENETETRAHYDROFOLATE
Experimental procedure
Source type | ROTATING ANODE |
Source details | ENRAF-NONIUS FR571 |
Temperature [K] | 298 |
Detector technology | DIFFRACTOMETER |
Collection date | 1996-05 |
Detector | ENRAF-NONIUS FAST |
Spacegroup name | P 63 |
Unit cell lengths | 126.780, 126.780, 67.710 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 14.800 - 2.600 |
R-factor | 0.18 * |
Rwork | 0.180 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | TS.FDUMP.CB3717 |
RMSD bond length | 0.017 |
RMSD bond angle | 0.044 |
Data reduction software | MADNES |
Data scaling software | Agrovata |
Refinement software | GPRLSA |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 14.800 | 2.770 |
High resolution limit [Å] | 2.600 | 2.600 |
Rmerge | 0.100 * | 0.430 * |
Total number of observations | 63040 * | |
Number of reflections | 18880 | |
<I/σ(I)> | 5.6 | 1 |
Completeness [%] | 99.5 | 99.5 |
Redundancy | 3.3 | 2.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | Vapor diffusion, hanging drop * | 7.5 | CRYSTALLIZED BY VAPOR DIFFUSION FROM A SOLUTION OF 8MG/ML PROTEIN, 2MM FDUMP, 10MM CH2THF, 20MM PHOSPHATE PH 7.5, 4MM DTT, AND 1.05M AMMONIUM SULFATE; EQUILIBRATED AGAINST A SOLUTION OF 2.10M AMMONIUM SULFATE, 20MM PHOSPHATE PH 7.5, AND 4MM DTT., vapor diffusion |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | drop | E. coli TS | 8 (mg/ml) | |
2 | 1 | drop | FdUMP | 2 (mM) | |
3 | 1 | drop | (6R,S)-CH2THF | 1 (mM) | |
4 | 1 | drop | phosphate | 20 (mM) | |
5 | 1 | drop | dithiothreitol | 4 (mM) | |
6 | 1 | drop | ammonium sulfate | 1.05 (M) | |
7 | 1 | reservoir | phosphate | 20 (mM) | |
8 | 1 | reservoir | dithiothreitol | 4 (mM) | |
9 | 1 | reservoir | ammonium sulfate | 2.1 (M) |