4GYH

Structure of human thymidylate synthase at high salt conditions

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU
Temperature [K]	173
Detector technology	IMAGE PLATE
Collection date	2011-10-26
Detector	MAR scanner 345 mm plate
Wavelength(s)	1.5418
Spacegroup name	P 31 2 1
Unit cell lengths	96.194, 96.194, 83.275
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	19.632 - 3.005
R-factor	0.2216
Rwork	0.215
R-free	0.28020
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1hw4
RMSD bond length	0.009
RMSD bond angle	1.212
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.7.1_743))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	19.600	3.100
High resolution limit [Å]	3.000	3.000
Number of reflections	8628
<I/σ(I)>	11
Completeness [%]	94.4	97.6
Redundancy	7.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	298	100mM TRIS, 1.8M Ammonium Sulfate, 20mM 2-mercaptoethanol, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K