9RK7

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	2022-02-27
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.88560
Spacegroup name	P 42 21 2
Unit cell lengths	78.550, 78.550, 70.480
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	24.880 - 1.600
Rwork	0.195
R-free	0.24780
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.015
RMSD bond angle	2.265
Data scaling software	XSCALE (VERSION Jun 30, 2024 BUILT=20240723)
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]	24.880	24.880	1.630
High resolution limit [Å]	1.600	8.760	1.600
Rmerge	0.146	0.108	1.148
Rmeas	0.163	0.120	1.384
Rpim	0.071	0.050	0.761
Number of reflections	29652	215	1436
<I/σ(I)>	8.1	18.1	1.3
Completeness [%]	99.9	96.4	99.8
Redundancy	9.5	8.1	5.7
CC(1/2)	0.994	0.977	0.825

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: 250 nl of 40% glycerol were added to the drop.