5CTI

Crystal structure of the type IX collagen NC2 hetero-trimerization domain with a guest fragment a2a1a1 of type I collagen (native form)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-003
Temperature [K]	100
Detector technology	CCD
Collection date	2014-01-15
Detector	RIGAKU SATURN 724
Wavelength(s)	1.5418
Spacegroup name	P 1 21 1
Unit cell lengths	27.777, 55.912, 61.660
Unit cell angles	90.00, 92.35, 90.00

Refinement procedure

Resolution	30.804 - 1.899
R-factor	0.1634
Rwork	0.160
R-free	0.19850
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5ctd
RMSD bond length	0.011
RMSD bond angle	1.456
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	AMoRE
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.930
High resolution limit [Å]	1.899	5.160	1.899
Rmerge	0.068	0.043	0.419
Total number of observations	176334
Number of reflections	14864
<I/σ(I)>	15.3
Completeness [%]	99.1	99.7	94.7
Redundancy	11.9	13.9	4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	295	0.1 M HEPES, 0.2 M sodium acetate, 17% PEG 3,350