6GKO

Mouse thymidylate synthase cocrystallized with dUMP and soaked in phenolphthalein

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	2015-07-03
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.918
Spacegroup name	C 1 2 1
Unit cell lengths	160.701, 87.441, 68.515
Unit cell angles	90.00, 96.02, 90.00

Refinement procedure

Resolution	45.494 - 1.839
R-factor	0.1936
Rwork	0.193
R-free	0.22110
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3ihi
RMSD bond length	0.007
RMSD bond angle	0.977
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX ((1.13_2998: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.494	1.950
High resolution limit [Å]	1.839	1.839
Rmeas	0.066
Number of reflections	80859	12387
<I/σ(I)>	12.56
Completeness [%]	98.8	93.7
Redundancy	3.39
CC(1/2)	0.998

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.1	277	0.15M Na/K Tartrate, 22% PEG 3350