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 |