2G86
L. casei thymidylate synthase Y261F in complex with substrate, dUMP
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU |
| Temperature [K] | 298 |
| Detector technology | IMAGE PLATE |
| Collection date | 1996-01-01 |
| Detector | RIGAKU RAXIS II |
| Wavelength(s) | 1.54178 |
| Spacegroup name | P 61 2 2 |
| Unit cell lengths | 78.550, 78.550, 241.800 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 39.400 - 2.400 |
| R-factor | 0.174 |
| Rwork | 0.174 |
| R-free | 0.23300 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.022 |
| RMSD bond angle | 2.200 |
| Data scaling software | CCP4 ((TRUNCATE)) |
| Phasing software | CNS |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 39.400 | 2.550 |
| High resolution limit [Å] | 2.400 | 2.400 |
| Number of reflections | 16639 | |
| <I/σ(I)> | 17.4 | |
| Completeness [%] | 91.5 | 87.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 298 | vapor diffusion against 20mM KPO4 buffer; protein solution in same buffer with 15-20mM ammonium sulfate, DTT, 38 mMdUMP, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K |
