5CVB

Crystal structure of the type IX collagen NC2 hetero-trimerization domain with a guest fragment a1a1a1 of type I collagen

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 4.2.2
Synchrotron site	ALS
Beamline	4.2.2
Temperature [K]	100
Detector technology	CCD
Collection date	2014-07-23
Detector	NOIR-1
Wavelength(s)	0.97866, 0.97887, 0.96338
Spacegroup name	P 1 21 1
Unit cell lengths	51.770, 64.460, 65.390
Unit cell angles	90.00, 112.72, 90.00

Refinement procedure

Resolution	47.753 - 2.249
R-factor	0.232
Rwork	0.227
R-free	0.27760
Structure solution method	MAD
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX (1.9-1692)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	47.760	47.760	2.290
High resolution limit [Å]	2.249	6.100	2.250
Rmerge	0.115	0.085	0.363
Rmeas	0.124	0.091	0.417
Rpim	0.046	0.033	0.198
Total number of observations	116869
Number of reflections	17539
<I/σ(I)>	10.1
Completeness [%]	92.6	100	54.7
Redundancy	6.7	7.4	3.6
CC(1/2)		0.998	0.786

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.4	295	0.1M BisTris, 14% PEG MME 5,000