9DFT

G1 domain of human aggrecan

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-07-26
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.00
Spacegroup name	P 41 21 2
Unit cell lengths	121.480, 121.480, 213.390
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	61.380 - 3.500
R-factor	0.203
Rwork	0.198
R-free	0.24450
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.507
Data reduction software	MOSFLM
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.21.2_5419)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	85.910	3.830
High resolution limit [Å]	3.500	3.500
Rmerge	0.125	1.393
Rmeas	0.133	1.476
Rpim	0.044	0.664
Number of reflections	20877	4880
<I/σ(I)>	7.5	2.4
Completeness [%]	100.0	100
Redundancy	8.9
CC(1/2)	0.995	0.683

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	1% (m/v) PEG 3,350, 100 mM Bis-Tris pH 5.5, 600 mM (NH4)2SO4