3BGX
E. coli Thymidylate Synthase C146S mutant complexed with dTMP and MTF
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | ENRAF-NONIUS FR571 |
Temperature [K] | 293 |
Detector technology | DIFFRACTOMETER |
Collection date | 1996-12-11 |
Detector | ENRAF-NONIUS FAST |
Wavelength(s) | 1.5418 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 72.030, 72.030, 115.460 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 30.000 - 1.930 |
R-factor | 0.18675 |
Rwork | 0.184 |
R-free | 0.23045 |
Structure solution method | FOURIER SYNTHESIS |
RMSD bond length | 0.017 |
RMSD bond angle | 1.793 |
Data reduction software | PROCOR |
Data scaling software | corect |
Refinement software | REFMAC (5.3.0037) |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 30.000 |
High resolution limit [Å] | 1.900 |
Number of reflections | 26908 |
<I/σ(I)> | 7 |
Completeness [%] | 99.0 |
Redundancy | 3.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | 2.5 M ammonium sulfate, 20 mM KH2PO4, 4MM DTT, 4MM dTMP, 4MM methylene tetrahydrofolate, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |