9RI7

Integrin alpha(2) I-domain mutant

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID29
Synchrotron site	ESRF
Beamline	ID29
Temperature [K]	100
Detector technology	CCD
Collection date	2013-05-03
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.97372
Spacegroup name	P 1 21 1
Unit cell lengths	37.030, 53.760, 44.650
Unit cell angles	90.00, 100.62, 90.00

Refinement procedure

Resolution	19.190 - 1.600
Rwork	0.161
R-free	0.20020
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.015
RMSD bond angle	2.270
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]	19.190	19.190	1.630
High resolution limit [Å]	1.600	8.760	1.600
Rmerge	0.046	0.014	1.004
Rmeas	0.064	0.019	1.419
Rpim	0.046	0.014	1.004
Number of reflections	21566	131	881
<I/σ(I)>	13.2	56.1	1
Completeness [%]	94.6	88.3	80
Redundancy	3.1	3.3	3
CC(1/2)	0.999	0.999	0.415

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		295	Protein solution (55 mg/ml): 40 mM Tris, pH 7.4, 2 mM MgCl2 Well solution: 0.1 M succinic acid, pH 7.0, 15 % PEG 3350 Drops: 2:1 ratio.