4EB4
Crystal structure of mouse thymidylate synthase in ternary complex with dUMP and Tomudex
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | BESSY BEAMLINE 14.1 |
| Synchrotron site | BESSY |
| Beamline | 14.1 |
| Wavelength(s) | 0.918 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 101.803, 114.216, 123.653 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 - 1.740 |
| R-factor | 0.1924 |
| Rwork | 0.190 |
| R-free | 0.23810 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.022 |
| RMSD bond angle | 1.967 |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER (2.1.4) |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 20.000 | 20.000 | 1.760 |
| High resolution limit [Å] | 1.730 | 4.680 | 1.730 |
| Rmerge | 0.054 | 0.020 | 0.556 |
| Number of reflections | 148229 | ||
| <I/σ(I)> | 21 | ||
| Completeness [%] | 99.9 | 99.3 | 100 |
| Redundancy | 3.6 | 3.5 | 3.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 278 | MES, PEG 5K MME, (NH4)2SO4, DTT, VAPOR DIFFUSION, HANGING DROP, temperature 278K |
