4NIA

Satellite Tobacco Mosaic Virus Refined at room temperature to 1.8 A Resolution using NCS Restraints

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	290
Detector technology	AREA DETECTOR
Collection date	1992-02-28
Detector	SDMS
Wavelength(s)	1.54178
Spacegroup name	I 2 2 2
Unit cell lengths	174.268, 191.774, 202.503
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	87.040 - 1.820
R-factor	0.124
Rwork	0.123
R-free	0.15600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1a34
RMSD bond length	0.009
RMSD bond angle	1.263
Data reduction software	SDMS
Data scaling software	SDMS
Refinement software	REFMAC (5.5.0109)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	87.040	500.000	1.919
High resolution limit [Å]	1.820	5.747	1.820
Rmerge	0.091
Number of reflections	268316
Completeness [%]	89.5	100	75
Redundancy	8.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	LIQUID DIFFUSION	6.5	296	9 crystals were grown in microgravity aboard IML-I mission of the U.S. Space Shuttle over 12 days using 20% ammonium sulfate as precipitant, pH 6.50, LIQUID DIFFUSION, temperature 296K