6I3A

Crystal structure of v22Pizza6-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	49.196, 56.892, 69.952
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.137 - 1.450
R-factor	0.1768
Rwork	0.175
R-free	0.20910
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6f0q
RMSD bond length	0.010
RMSD bond angle	1.076
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]	44.140	1.470
High resolution limit [Å]	1.450	1.450
Rmerge	0.081
Rmeas	0.084
Rpim	0.023
Number of reflections	34783
<I/σ(I)>	21.1
Completeness [%]	97.9
Redundancy	13.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293.15	0.1M Potassium bromide 28%(w/v) PEG2000 MME +15% glycerol