5W3Z

Crystal structure of SsoPox AsC6 mutant (L72I-Y99F-I122L-L228M-F229S-W263L)

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	PIXEL
Collection date	2014-02-07
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.00882
Spacegroup name	P 21 21 21
Unit cell lengths	81.650, 105.800, 154.530
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.310 - 2.550
R-factor	0.19237
Rwork	0.189
R-free	0.25185
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2vc5
RMSD bond length	0.019
RMSD bond angle	2.020
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	REFMAC
Refinement software	REFMAC (5.8.0158)

Data quality characteristics

	Overall
Low resolution limit [Å]	46.313
High resolution limit [Å]	2.550
Number of reflections	43204
<I/σ(I)>	15.68
Completeness [%]	97.3
Redundancy	4.49

Crystallization Conditions

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