3IJZ
Lactobacillus casei Thymidylate Synthase ternary complex with dUMP and Pthalimidic derivative 15C
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 | 77.656, 77.656, 224.969 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 67.250 - 2.210 |
| R-factor | 0.20991 |
| Rwork | 0.208 |
| R-free | 0.25326 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2tdm |
| RMSD bond length | 0.018 |
| RMSD bond angle | 1.921 |
| 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 | 2.330 |
| High resolution limit [Å] | 2.210 | 2.210 |
| Rmerge | 0.093 | 0.356 |
| Number of reflections | 20713 | |
| <I/σ(I)> | 29.6 | 7.1 |
| Completeness [%] | 98.2 | 95.3 |
| Redundancy | 16.5 | 16.4 |
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 |
