7S86

Crystal structure of hydrophobin SC16, C2221

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CLSI BEAMLINE 08B1-1
Synchrotron site	CLSI
Beamline	08B1-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-09-17
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.5408
Spacegroup name	C 2 2 21
Unit cell lengths	49.180, 96.290, 37.870
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.800 - 2.000
Rwork	0.204
R-free	0.25200
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2nbh
RMSD bond length	0.004
RMSD bond angle	0.628
Data reduction software	PROTEUM2
Data scaling software	pointless
Phasing software	PHENIX (1.17.1_3660)
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	43.800	2.070
High resolution limit [Å]	2.000	2.000
Rmerge	0.051	0.329
Rmeas	0.054	0.346
Rpim	0.016	0.105
Number of reflections	6317	596
<I/σ(I)>	29.6	7.9
Completeness [%]	99.1	96.24
Redundancy	11.5	11.1
CC(1/2)	0.999	0.994

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	3.5	293	0.1 M Citric acid pH 3.5 30.5% PEG 3350