5FCT
Mouse thymidylate synthase in ternary complex with FdUMP and methylenetetrahydrofolate.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SEALED TUBE |
Source details | Agilent SuperNova |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2013-04-30 |
Detector | AGILENT ATLAS CCD |
Wavelength(s) | 1.5406 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 54.224, 83.302, 68.850 |
Unit cell angles | 90.00, 105.43, 90.00 |
Refinement procedure
Resolution | 26.140 - 1.550 |
R-factor | 0.11972 |
Rwork | 0.117 |
R-free | 0.16614 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4ez8 |
RMSD bond length | 0.010 |
RMSD bond angle | 1.415 |
Data reduction software | CrysalisPro |
Data scaling software | CrysalisPro |
Phasing software | CrysalisPro |
Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 26.140 | 1.630 |
High resolution limit [Å] | 1.550 | 1.550 |
Rmerge | 0.068 | 0.517 |
Number of reflections | 85416 | |
<I/σ(I)> | 14 | 2.4 |
Completeness [%] | 100.0 | 100 |
Redundancy | 5.9 | 4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 280 | MES, PEG 8K, MgAcetate |