4IQB

High Resolution Crystal Structure of C.elegans Thymidylate Synthase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.1
Synchrotron site	BESSY
Beamline	14.1
Collection date	2011-12-02
Wavelength(s)	0.918
Spacegroup name	C 1 2 1
Unit cell lengths	99.335, 98.367, 69.159
Unit cell angles	90.00, 111.77, 90.00

Refinement procedure

Resolution	29.300 - 1.130
R-factor	0.1147
Rwork	0.114
R-free	0.13870
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.023
RMSD bond angle	2.194
Phasing software	PHASER (2.3.0)
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.300	1.150
High resolution limit [Å]	1.130	1.130
Rmerge		0.439
Number of reflections	228161
<I/σ(I)>		2.01

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.6	277	0.1M MES pH 5.6, 0.15M (NH4)2SO4, 18% PEG 5000MME, VAPOR DIFFUSION, HANGING DROP, temperature 277K