4ISW
Crystal Structure of Phosphorylated C.elegans Thymidylate Synthase in Complex with dUMP
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | BESSY BEAMLINE 14.1 |
| Synchrotron site | BESSY |
| Beamline | 14.1 |
| Collection date | 2011-12-02 |
| Wavelength(s) | 0.918 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 133.436, 133.436, 153.969 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 38.520 - 3.140 |
| R-factor | 0.2359 |
| Rwork | 0.234 |
| R-free | 0.26960 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.034 |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER (2.3.0) |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 3.190 |
| High resolution limit [Å] | 3.140 | 8.510 | 3.140 |
| Rmerge | 0.150 | 0.038 | 0.589 |
| Number of reflections | 27888 | ||
| <I/σ(I)> | 6.9 | ||
| Completeness [%] | 99.1 | 99.4 | 87.8 |
| Redundancy | 12.6 | 12.5 | 6.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 277 | 0.1M Bis-Tris pH 6.5, 0.2M (NH4)2SO4, 25% PEG 3350, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
