3IK0
Lactobacillus casei Thymidylate Synthase in Ternary Complex with dUMP and the Phtalimidic Derivative 7C1
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 | 78.197, 78.197, 226.663 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 67.720 - 2.100 |
R-factor | 0.2086 |
Rwork | 0.206 |
R-free | 0.25817 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2tdm |
RMSD bond length | 0.016 |
RMSD bond angle | 1.843 |
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] | 75.590 | 2.210 |
High resolution limit [Å] | 2.100 | 2.100 |
Rmerge | 0.106 | 0.384 |
Number of reflections | 24969 | |
<I/σ(I)> | 27.7 | 6.2 |
Completeness [%] | 99.9 | 100 |
Redundancy | 17.2 | 18.8 |
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 298K |