3IK1
Lactobacillus casei Thymidylate Synthase in Ternary Complex with dUMP and the Phtalimidic Derivative 20C
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-1 |
| Synchrotron site | ESRF |
| Beamline | ID23-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-10-27 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.983 |
| Spacegroup name | P 61 2 2 |
| Unit cell lengths | 77.985, 77.985, 224.718 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 67.540 - 2.250 |
| R-factor | 0.21457 |
| Rwork | 0.212 |
| R-free | 0.27083 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2tdm |
| RMSD bond length | 0.019 |
| RMSD bond angle | 2.027 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.5.0072) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 74.950 | 2.370 |
| High resolution limit [Å] | 2.250 | 2.250 |
| Rmerge | 0.079 | 0.286 |
| Number of reflections | 20159 | |
| <I/σ(I)> | 37.7 | 10.8 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 19.9 | 20.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.8 | 298 | 10% saturated Ammonium sulfate, 1mM DTT, 20mM Potassium phosphate , pH 6.8, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K |
