9RKA

Integrin alpha(2) I-domain mutant

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-1
Synchrotron site	ESRF
Beamline	ID23-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-01-27
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.88560
Spacegroup name	P 42 21 2
Unit cell lengths	79.850, 79.850, 70.360
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.600 - 1.900
Rwork	0.160
R-free	0.21330
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.015
RMSD bond angle	2.412
Data scaling software	XSCALE (VERSION Jun 30, 2024 BUILT=20240723)
Phasing software	PHASER (2.83)
Refinement software	REFMAC (5.8.0430 (refmacat 0.4.100))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	19.600	19.600	1.940
High resolution limit [Å]	1.900	8.910	1.900
Rmerge	0.110	0.039	1.561
Rmeas	0.129	0.047	1.846
Rpim	0.064	0.025	0.946
Number of reflections	18155	183	1186
<I/σ(I)>	11.9	33.4	1.3
Completeness [%]	98.8	86.9	99.4
Redundancy	6.4	5.7	6.6
CC(1/2)	0.997	0.998	0.557

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 M tri-Na citrate, 0.1 M Na cacodylate Drop: 200 nl (protein) + 200 nl (well solution) Cryo: 250 nl of 40% glycerol were added to the drop.