7K3C

SGMGGIT segment 58-64 from Keratin-8

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-E
Synchrotron site	APS
Beamline	24-ID-E
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-08-09
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97918
Spacegroup name	P 1 21 1
Unit cell lengths	8.360, 51.610, 9.530
Unit cell angles	90.00, 109.10, 90.00

Refinement procedure

Resolution	25.805 - 1.100
Rwork	0.156
R-free	0.16940
Structure solution method	AB INITIO PHASING
RMSD bond length	0.012
RMSD bond angle	1.815
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	SHELXD
Refinement software	REFMAC (5.8.0266)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	25.810	25.810	1.130
High resolution limit [Å]	1.100	4.920	1.100
Rmerge	0.182	0.162	0.351
Rmeas	0.224	0.191	0.462
Number of reflections	2926	35	148
<I/σ(I)>	3.33	5.5	1.39
Completeness [%]	93.3	100	62.7
Redundancy	2.636	2.657	2.007
CC(1/2)	0.955	0.993	0.946

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.2	298	0.1 M phoshate/citrate pH 4.2, 40% ethanol, 5% PEG 1000