7CC8

Crystal structure of White Spot Syndrome Virus Thymidylate Synthase - Apo form

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE MASSIF-3
Synchrotron site	ESRF
Beamline	MASSIF-3
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-09-01
Detector	DECTRIS EIGER X 4M
Wavelength(s)	0.97242
Spacegroup name	P 43 21 2
Unit cell lengths	91.801, 91.801, 233.578
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.410 - 2.300
Rwork	0.185
R-free	0.20900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5x5d
Data reduction software	iMOSFLM
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	REFMAC (5.8)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	43.410	2.380
High resolution limit [Å]	2.300	2.300
Rmerge	0.076	0.620
Number of reflections	42497	4356
<I/σ(I)>	15.5	2.9
Completeness [%]	98.9	99.8
Redundancy	5.9	6.2
CC(1/2)	0.999	0.807

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	291	200 mM ammonium sulfate, 100 mM Bis-Tris (pH 6.5), 23% PEG3350, 4% Pentaerythritol ethoxylate