6I38

Crystal structure of nv2Pizza6-AYW, a circularly permuted designer protein

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06DA
Synchrotron site	SLS
Beamline	X06DA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-05-17
Detector	DECTRIS PILATUS 2M-F
Wavelength(s)	1.00003
Spacegroup name	P 21 21 21
Unit cell lengths	49.295, 57.397, 69.827
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.340 - 1.580
R-factor	0.1708
Rwork	0.169
R-free	0.20230
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6f0q
RMSD bond length	0.004
RMSD bond angle	0.766
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.13_2998: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	44.340	1.610
High resolution limit [Å]	1.580	1.580
Number of reflections	27640
<I/σ(I)>	17.7
Completeness [%]	99.4
Redundancy	6.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		292.15	21% (w/v) PEG3350 0.1M Bis-Tris pH5.5 +20% Glycerol