3IK1
Lactobacillus casei Thymidylate Synthase in Ternary Complex with dUMP and the Phtalimidic Derivative 20C
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 | 77.985, 77.985, 224.718 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 67.540 - 2.250 |
R-factor | 0.21457 |
Rwork | 0.212 |
R-free | 0.27083 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2tdm |
RMSD bond length | 0.019 |
RMSD bond angle | 2.027 |
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 | 2.370 |
High resolution limit [Å] | 2.250 | 2.250 |
Rmerge | 0.079 | 0.286 |
Number of reflections | 20159 | |
<I/σ(I)> | 37.7 | 10.8 |
Completeness [%] | 99.9 | 100 |
Redundancy | 19.9 | 20.9 |
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 |