4OQ8

Satellite Tobacco Mosaic Virus Refined to 1.4 A Resolution using icosahedral constraints

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.2.2
Synchrotron site	ALS
Beamline	8.2.2
Temperature [K]	100
Detector technology	CCD
Collection date	2003-10-03
Detector	ADSC QUANTUM 315
Wavelength(s)	1.06
Spacegroup name	I 2 2 2
Unit cell lengths	172.690, 190.300, 201.690
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.350 - 1.450
R-factor	0.2784
Rwork	0.278
R-free	0.27930
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1a34
RMSD bond length	0.007
RMSD bond angle	1.280
Data reduction software	d*TREK
Data scaling software	d*TREK
Phasing software	CNS (1.2)
Refinement software	CNS (1.2)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	48.350	48.350	1.450
High resolution limit [Å]	1.400	3.020	1.400
Rmerge	0.100	0.066	0.354
Total number of observations		93374	831527
Number of reflections	613720
<I/σ(I)>	11.6	31.4	2.9
Completeness [%]	95.4	99.4	67.3
Redundancy	7.23	12.77	2.17

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	296	crystals grown from 15% ammonium sulfate on earth with a reservoir of 15% ammonium sulfate over 14 days., pH 6.50, VAPOR DIFFUSION, SITTING DROP, temperature 296K