2VAK

Crystal structure of the avian reovirus inner capsid protein sigmaA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-1
Synchrotron site	ESRF
Beamline	ID23-1
Temperature [K]	100
Detector technology	CCD
Collection date	2004-09-27
Detector	MARRESEARCH
Spacegroup name	P 1
Unit cell lengths	103.210, 129.909, 144.037
Unit cell angles	93.81, 105.05, 98.16

Refinement procedure

Resolution	29.850 - 2.340
R-factor	0.211
Rwork	0.210
R-free	0.27100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ej6
RMSD bond length	0.014
RMSD bond angle	1.379
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	MOLREP
Refinement software	REFMAC (5.3.0027)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.470
High resolution limit [Å]	2.340	2.340
Rmerge	0.110	0.300
Number of reflections	282973
<I/σ(I)>	7.7	2.2
Completeness [%]	94.3	74.8
Redundancy	2	1.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6	278	100 MM SODIUM CITRATE, SODIUM PHOSPHATE OR MES NAOH BUFFER PH 5.5 TO 6.5, 0.1 TO 0.6 M AMMONIUM SULPHATE 10 MM TRIS HCL, 1 MM EDTA SITTING DROP VAPOUR DIFFUSION AT 278 K