4EZ8
Crystal structure of mouse thymidylate sythase in ternary complex with N(4)-hydroxy-2'-deoxycytidine-5'-monophosphate and the cofactor product, dihydrofolate
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 | C 2 2 21 |
| Unit cell lengths | 71.121, 112.045, 88.297 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 21.350 - 1.170 |
| R-factor | 0.1084 |
| Rwork | 0.107 |
| R-free | 0.12950 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.023 |
| RMSD bond angle | 2.013 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.190 |
| High resolution limit [Å] | 1.170 | 3.180 | 1.170 |
| Rmerge | 0.084 | 0.056 | 0.488 |
| Number of reflections | 117370 | ||
| <I/σ(I)> | 9.8 | ||
| Completeness [%] | 99.0 | 98.7 | 91.7 |
| Redundancy | 5.4 | 5.8 | 3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 280 | MES, PEG 8K, MgAcetate, VAPOR DIFFUSION, HANGING DROP, temperature 280K |
