6SNK

Crystal structure of the Collagen VI alpha3 N2 domain

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID30B
Synchrotron site	ESRF
Beamline	ID30B
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-01-28
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9999
Spacegroup name	P 1
Unit cell lengths	36.639, 40.538, 57.114
Unit cell angles	83.34, 76.79, 79.56

Refinement procedure

Resolution	55.430 - 2.200
R-factor	0.2031
Rwork	0.200
R-free	0.25750
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4igi
RMSD bond length	0.006
RMSD bond angle	0.648
Data reduction software	DIALS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (dev_3594)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	55.452	55.430	2.270
High resolution limit [Å]	2.200	9.070	2.200
Rmerge	0.221	0.146	1.240
Rmeas	0.267	0.174	1.546
Rpim	0.147	0.094	0.903
Number of reflections	15370	225	1341
<I/σ(I)>	0.939
Completeness [%]	96.5	99.1	96.5
Redundancy	3.4	3.3	3.2
CC(1/2)		0.951	0.225

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	EVAPORATION	6.5	298	30% P550MME_P20K, 0.1M Morpheus buffer 1, 0.12M Morpheus alcohols (condition D1 of Morpheus screen from Molecular Dimensions