6UUI

Crystal structure of the heterocomplex between coil 2B domains of wild-type keratin 1 (KRT1) and keratin 10 (KRT10) containing mutation Cys401Ala

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-C
Synchrotron site	APS
Beamline	24-ID-C
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-04-07
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.9791
Spacegroup name	P 61 2 2
Unit cell lengths	100.124, 100.124, 224.788
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	48.865 - 2.069
R-factor	0.25174692579
Rwork	0.250
R-free	0.27691
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4zry
RMSD bond length	0.004
RMSD bond angle	0.611
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	PHENIX (1.10.1_2155)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	100.000	100.000	2.110
High resolution limit [Å]	2.069	5.620	2.070
Rmerge	0.110	0.057	6.295
Rmeas	0.116	0.061	6.606
Rpim	0.036	0.020	1.978
Number of reflections	41346	2340	2004
<I/σ(I)>	6.3
Completeness [%]	99.4	99.2	98.6
Redundancy	10.5	10.1	10.7
CC(1/2)		0.998	0.107

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.4	285.15	Ammonium phosphate dibasic, Tris, N-octyl-B-D-glucoside