6F6Z

Mouse Thymidylate Synthase Cocrystallized with N(4)OHdCMP and Soaked in Methylenetetrahydrofolate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.1
Synchrotron site	BESSY
Beamline	14.1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-02-07
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.918
Spacegroup name	C 1 2 1
Unit cell lengths	160.360, 89.160, 66.560
Unit cell angles	90.00, 97.47, 90.00

Refinement procedure

Resolution	47.815 - 2.127
R-factor	0.2117
Rwork	0.210
R-free	0.24280
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4ein
RMSD bond length	0.006
RMSD bond angle	0.848
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX ((1.10.1_2155: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.810	2.260
High resolution limit [Å]	2.127	2.127
Rmeas	0.071
Number of reflections	51781	7953
<I/σ(I)>	14.6
Completeness [%]	98.2
Redundancy	3.42
CC(1/2)	0.999	0.990

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.7	277	0.1M MES, 0.15M magnesium acetate, 14% PEG 8000