5BKL

Crystallographic structure of the cubic crystal form of STMV (77.9 degree rotation) grown from NaCl

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	2002-06-17
Detector	MAR CCD 165 mm
Wavelength(s)	1.0
Spacegroup name	P 2 3
Unit cell lengths	234.650, 234.650, 234.650
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	78.220 - 2.940
R-factor	0.2187
Rwork	0.217
R-free	0.25560
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4oq8
RMSD bond length	0.004
RMSD bond angle	0.715
Data reduction software	d*TREK
Data scaling software	d*TREK
Phasing software	PHASER
Refinement software	PHENIX (1.19_4092)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	100.500	3.000
High resolution limit [Å]	2.900	2.900
Rmerge	0.170	0.320
Number of reflections	87022	8458
<I/σ(I)>	7.2	2.8
Completeness [%]	96.0	75
Redundancy	7.8	2.3
CC(1/2)	0.970	0.520

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 using 0.6 ml reservoirs. The drops were composed of equal amounts of a 5 mg/ml stock virus solution buffered at pH6.5 with 0.1 M phosphate, and the reservoir solution which was 8% w/v NaCl buffered with 0.1 M phosphate at pH 6.0. Crystallization was carried out at 4 degrees C.