5VSA

Crystal structure of SsoPox AsA1 mutant (C258L-I261F-W263A)

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	2011-04-09
Detector	ADSC QUANTUM 315
Wavelength(s)	0.99987
Spacegroup name	P 21 21 21
Unit cell lengths	86.600, 103.100, 151.800
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.810 - 2.000
R-factor	0.16004
Rwork	0.158
R-free	0.20422
RMSD bond length	0.018
RMSD bond angle	1.727
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0158)

Data quality characteristics

	Overall
Low resolution limit [Å]	48.812
High resolution limit [Å]	2.000
Rmerge	0.090
Number of reflections	91103
<I/σ(I)>	15.59
Completeness [%]	98.6
Redundancy	7.72

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)