6I37

Crystal structure of nv1Pizza6-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	2017-05-18
Detector	DECTRIS PILATUS 2M-F
Wavelength(s)	1.00003
Spacegroup name	P 21 21 21
Unit cell lengths	48.256, 55.977, 69.352
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.559 - 1.540
R-factor	0.1912
Rwork	0.190
R-free	0.22390
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6f0q
RMSD bond length	0.007
RMSD bond angle	0.872
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]	43.559	1.570
High resolution limit [Å]	1.540	1.540
Rmerge	0.056	0.138
Rmeas	0.066	0.162
Rpim	0.035	0.085
Number of reflections	27927	1288
<I/σ(I)>	17.6	7.9
Completeness [%]	98.3	93.6
Redundancy	6.3	6.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291.15	1.6M Ammonium sulfate + 25% Glycerol