3BYX
Lactobacillus CASEI Thymidylate Synthase Ternary Complex with DUMP and the Phtalimidic Derivative C00 in Multiple Binding Modes
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-1 |
| Synchrotron site | ESRF |
| Beamline | ID14-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2005-02-15 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.930 |
| Spacegroup name | P 61 2 2 |
| Unit cell lengths | 77.012, 77.012, 213.970 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 48.740 - 2.400 |
| R-factor | 0.208 |
| Rwork | 0.204 |
| R-free | 0.28300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1lca |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.928 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.740 | 2.530 |
| High resolution limit [Å] | 2.400 | 2.400 |
| Rmerge | 0.095 | 0.415 |
| Number of reflections | 13070 | |
| <I/σ(I)> | 7 | 1.9 |
| Completeness [%] | 84.4 | 85.6 |
| Redundancy | 5.4 | 6.47 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.4 | 293 | 1mM EDTA, 100mM ammonium phosphate, 5% (v/v) PEG 400, 20mM Tris-HCl, DMSO, pH 7.4, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
