4XSE

Complex structure of thymidylate synthase from varicella zoster virus

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX1
Synchrotron site	Australian Synchrotron
Beamline	MX1
Temperature [K]	100
Detector technology	CCD
Collection date	2014-03-27
Detector	ADSC QUANTUM 210r
Wavelength(s)	0.9537
Spacegroup name	P 32
Unit cell lengths	153.379, 153.379, 89.180
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	29.727 - 3.100
R-factor	0.2393
Rwork	0.238
R-free	0.26800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1hzw
RMSD bond length	0.010
RMSD bond angle	1.447
Data reduction software	iMOSFLM
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: dev_1839))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.800	3.200
High resolution limit [Å]	3.100	3.100
Rmerge	0.127	0.475
Number of reflections	42243
<I/σ(I)>	8.5
Completeness [%]	99.2	97.5
Redundancy	3.7	3.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	12% ethylene glycol, 0.1 M HEPES pH 7.5