5CTD

Crystal structure of the type IX collagen NC2 hetero-trimerization domain with a guest fragment a2a1a1 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	2014-03-23
Detector	NOIR-1
Wavelength(s)	0.97872, 0.97918, 0.96487
Spacegroup name	P 1 21 1
Unit cell lengths	27.890, 55.920, 62.100
Unit cell angles	90.00, 92.86, 90.00

Refinement procedure

Resolution	41.532 - 1.599
R-factor	0.1791
Rwork	0.177
R-free	0.20250
Structure solution method	MAD
RMSD bond length	0.012
RMSD bond angle	1.383
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	SOLVE
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.630
High resolution limit [Å]	1.599	4.340	1.599
Rmerge	0.084	0.066	0.360
Rmeas	0.097	0.077	0.435
Rpim	0.049	0.039	0.241
Total number of observations	92373
Number of reflections	24414
<I/σ(I)>	15.6
Completeness [%]	96.7	96.8	88.3
Redundancy	3.8	3.7	3
CC(1/2)		0.994	0.770

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	295	0.1 M HEPES, 50 mM sodium acetate, 17% PEG 3,350