7M3R

Crystallographic Structure of the Rhombohedral Crystal Form of STMV Grown from Bromide

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.3.1
Synchrotron site	ALS
Beamline	8.3.1
Temperature [K]	173
Detector technology	CCD
Collection date	2002-06-16
Detector	MAR CCD 165 mm
Wavelength(s)	1.0
Spacegroup name	H 3
Unit cell lengths	166.491, 166.491, 435.839
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	54.080 - 2.100
R-factor	0.1805
Rwork	0.171
R-free	0.20820
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4oq8
RMSD bond length	0.003
RMSD bond angle	0.481
Data reduction software	d*TREK
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.19_4092)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	55.000	2.200
High resolution limit [Å]	2.100	2.100
Rmerge	0.160	0.320
Number of reflections	200162	13000
<I/σ(I)>	4.5	2.7
Completeness [%]	86.0	35
Redundancy	4.6
CC(1/2)	0.987	0.440

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6	279	Crystals were grown by sitting drop vapor diffusion in Cryschem plates with 0.6 ml reservoirs and 6 to 8 ul drops. The drops were equal amounts of a 5 mg/ml virus stock solution buffered at pH 6.5 with 0.1 M phosphate. The reservoirs were 5% w/v NaBr in 0.1 M phosphate at pH 6.0. Crystallization was at 4 degrees C and the time of development was about 10 days.