2ZUG

Crystal structure of WSSV ICP11

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSRRC BEAMLINE BL13B1
Synchrotron site	NSRRC
Beamline	BL13B1
Temperature [K]	100
Detector technology	CCD
Collection date	2006-07-01
Detector	ADSC QUANTUM 315
Wavelength(s)	0.9762
Spacegroup name	P 41 21 2
Unit cell lengths	91.595, 91.595, 98.352
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.250 - 2.720
R-factor	0.227
Rwork	0.226
R-free	0.25400
Structure solution method	MAD
RMSD bond length	0.015
RMSD bond angle	1.800
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	SOLVE
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.820
High resolution limit [Å]	2.720	2.720
Rmerge	0.062	0.644
Number of reflections	11437
<I/σ(I)>	30.3	3.2
Completeness [%]	96.8	88.2
Redundancy	9.4	10.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	298	0.2M sodium acetate trihydrate, 2.2M ammonium sulfate, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K
1	VAPOR DIFFUSION, SITTING DROP	6.5	298	0.2M sodium acetate trihydrate, 2.2M ammonium sulfate, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K