5VRK

Crystal structure of SsoPox AsA6 mutant (F46L-C258A-W263M-I280T) - open form

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID29
Synchrotron site	ESRF
Beamline	ID29
Temperature [K]	100
Detector technology	PIXEL
Collection date	2011-10-23
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.97934
Spacegroup name	P 1 21 1
Unit cell lengths	49.280, 137.200, 49.360
Unit cell angles	90.00, 98.70, 90.00

Refinement procedure

Resolution	45.970 - 1.400
R-factor	0.14083
Rwork	0.139
R-free	0.17539
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2vc5
RMSD bond length	0.012
RMSD bond angle	1.278
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0049)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.700	1.500
High resolution limit [Å]	1.400	1.400
Rmerge	0.082	0.334
Number of reflections	121915
<I/σ(I)>	9.07
Completeness [%]	96.1
Redundancy	3.44

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	293	20-30 % (w/v) PEG 8000 and 50 mM Tris-HCl buffer (pH 8)