1TSL
L. CASEI THYMIDYLATE SYNTHASE WITH SPECIES SPECIFIC INHIBITOR
Experimental procedure
| Source type | ROTATING ANODE |
| Source details | RIGAKU RUH2R |
| Temperature [K] | 287 |
| Detector technology | IMAGE PLATE |
| Collection date | 1994-03 |
| Detector | RIGAKU |
| Spacegroup name | P 61 2 2 |
| Unit cell lengths | 78.300, 78.300, 243.200 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 8.000 - 2.500 |
| R-factor | 0.163 |
| Rwork | 0.163 |
| R-free | 0.25100 |
| Structure solution method | DIFFERENCE FOURIER |
| Starting model (for MR) | 4tms |
| RMSD bond length | 0.006 |
| RMSD bond angle | 23.700 * |
| Data reduction software | MSC |
| Data scaling software | MSC |
| Phasing software | X-PLOR |
| Refinement software | X-PLOR (3.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.600 | 2.750 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Rmerge | 0.081 | 0.125 |
| Total number of observations | 78644 * | |
| Number of reflections | 9477 | |
| <I/σ(I)> | 9.7 | 3.5 |
| Completeness [%] | 58.7 | 24.7 |
| Redundancy | 8.3 | 2.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.8 | 6 MG/ML PROTEIN, PH 7.4; 1% AMMONIUM SULFATE, 1 MM DTT, + 1 % SATURATED LIGAND-DMSO SOLUTION. HANGING DROP OVER 20 MM KPO4, PH 6.8 AND 1 MM DTT., vapor diffusion - hanging drop |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 6 (mg/ml) | |
| 2 | 1 | drop | ammonium sulfate | 10 (%) | |
| 3 | 1 | drop | dithiothreitol | 1 (mM) | |
| 4 | 1 | reservoir | 20 (mM) | ||
| 5 | 1 | reservoir | dithiothreitol | 1 (mM) |
