3RKL

The crystal structure of A81 from Sulfolobus Turreted Icosahedral Virus

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	100
Detector technology	CCD
Collection date	2006-12-03
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.97927, 0.97913, 0.91162
Spacegroup name	C 1 2 1
Unit cell lengths	80.930, 88.962, 55.346
Unit cell angles	90.00, 123.48, 90.00

Refinement procedure

Resolution	50.000 - 1.700
R-factor	0.16493
Rwork	0.163
R-free	0.19599
Structure solution method	MAD
RMSD bond length	0.009
RMSD bond angle	1.014
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	SOLVE
Refinement software	REFMAC (5.5.0109)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.740
High resolution limit [Å]	1.700	1.700
Number of reflections	35400
<I/σ(I)>	31.4
Completeness [%]	97.9	86.2
Redundancy	4.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.8	295	18% MPD, 4% tertiary butanol, 0.1 M Na Citrate pH 5.8, 0.2 M ammonium acetate, VAPOR DIFFUSION, HANGING DROP, temperature 295K