1FWM

Crystal structure of the thymidylate synthase R166Q mutant

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	ENRAF-NONIUS FR571
Temperature [K]	298
Detector technology	DIFFRACTOMETER
Collection date	1997-10-13
Detector	ENRAF-NONIUS FAST
Spacegroup name	P 63
Unit cell lengths	127.060, 127.060, 67.670
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	17.950 - 2.200
R-factor	0.18
Rwork	0.180
R-free	0.22500
RMSD bond length	0.011
RMSD bond angle	1.700
Data reduction software	ROTAVATA
Data scaling software	CCP4 ((AGROVATA)
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	18.137	2.260
High resolution limit [Å]	2.200	2.200
Rmerge	0.090	0.380
Number of reflections	31445
<I/σ(I)>	6.7
Completeness [%]	99.2	98.5
Redundancy	3.1	2.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	298	Ammonium sulfate, potassium sulfate, EDTA, DTT, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K