2FTN
E. coli thymidylate synthase Y94F mutant
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 14-BM-C |
Synchrotron site | APS |
Beamline | 14-BM-C |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2002-12-05 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 0.9 |
Spacegroup name | I 21 3 |
Unit cell lengths | 131.171, 131.171, 131.171 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 11.200 - 1.600 |
R-factor | 0.18312 |
Rwork | 0.182 |
R-free | 0.20359 |
Structure solution method | Started with coordinates from isomorphous structure IAJM |
RMSD bond length | 0.014 |
RMSD bond angle | 1.518 |
Data scaling software | d*TREK |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 11.200 | 1.660 |
High resolution limit [Å] | 1.600 | 1.600 |
Rmerge | 0.076 | 0.370 |
Number of reflections | 48479 | |
<I/σ(I)> | 18.9 | 3.1 |
Completeness [%] | 99.0 | 100 |
Redundancy | 10 | 10 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 298 | 2.5 M ammonium sulfate, 20 mM KH2PO4, 4 mM DTT, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |