5W3U

Crystal structure of SsoPox AsB5 mutant (V27A-I76T-Y97W-Y99F-L130P-L226V)

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 PILATUS 6M
Wavelength(s)	0.97625
Spacegroup name	P 21 21 21
Unit cell lengths	82.930, 105.950, 152.830
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.640 - 2.500
R-factor	0.2152
Rwork	0.212
R-free	0.27170
RMSD bond length	0.005
RMSD bond angle	0.849
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	PHENIX (1.10.1_2155)

Data quality characteristics

	Overall
Low resolution limit [Å]	49.640
High resolution limit [Å]	2.500
Number of reflections	47092
<I/σ(I)>	12.84
Completeness [%]	99.5
Redundancy	4.38

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)