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 |