9RK5

Integrin alpha(2) I-domain mutant

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-01-27
Detector	RIGAKU HyPix-6000HE
Wavelength(s)	1.541838
Spacegroup name	P 42 21 2
Unit cell lengths	79.220, 79.220, 70.410
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.570 - 1.900
Rwork	0.182
R-free	0.24240
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.012
RMSD bond angle	2.047
Data scaling software	XSCALE (VERSION Feb 5, 2021 BUILT=20210205)
Phasing software	PHASER (2.8.3)
Refinement software	REFMAC (5.8.0430 (refmacat 0.4.100))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	19.570	19.570	1.940
High resolution limit [Å]	1.900	8.910	1.900
Rmerge	0.090	0.020	0.693
Rmeas	0.099	0.022	0.797
Rpim	0.041	0.010	0.389
Number of reflections	18175	191	1197
<I/σ(I)>	18.9	61.8	3
Completeness [%]	99.8	90.5	100
Redundancy	10.3	7.3	7.8
CC(1/2)	0.999	1.000	0.845

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		295	Protein solution (16.5 mg/ml): 40 mM Tris-HCl (pH 7.4), 2 mM MgCl2 Well solution: 1.92 ammonium suplhate, 0.096 M Bis-Tris, pH 5.5 Drop: 300 nl (protein) + 150 nl (well solution) Cryo: 200 nl of 40% glycerol were added to the drop.