3BZ0
Lactobacillus Casei Thymidylate Synthase Ternary Complex with DUMP and the Phtalimidic Derivative C00
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | EMBL/DESY, HAMBURG BEAMLINE BW7B |
| Synchrotron site | EMBL/DESY, HAMBURG |
| Beamline | BW7B |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2005-01-01 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 1.078 |
| Spacegroup name | P 61 2 2 |
| Unit cell lengths | 77.916, 77.916, 224.183 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 33.370 - 2.700 |
| R-factor | 0.2349 |
| Rwork | 0.226 |
| R-free | 0.32619 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1lca |
| RMSD bond length | 0.019 |
| RMSD bond angle | 2.151 |
| 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] | 33.370 | 2.850 |
| High resolution limit [Å] | 2.700 | 2.700 |
| Rmerge | 0.139 | 0.439 |
| Number of reflections | 10443 | |
| <I/σ(I)> | 4.3 | 1.7 |
| Completeness [%] | 88.6 | 92.3 |
| Redundancy | 4 | 4.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.4 | 293 | 1mM EDTA, 20 mM Tris-HCl, dUMP, 100mM ammonium phopshate, 5% (v/v) PEG 400, pH 7.4, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
