9RHY

Integrin alpha(2) I-domain mutant

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE BM14
Synchrotron site	ESRF
Beamline	BM14
Temperature [K]	100
Detector technology	CCD
Collection date	2014-05-14
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.97372
Spacegroup name	P 42 21 2
Unit cell lengths	80.370, 80.370, 70.160
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.600 - 2.300
Rwork	0.175
R-free	0.24790
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.012
RMSD bond angle	2.286
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]	19.600	19.600	2.380
High resolution limit [Å]	2.300	8.910	2.300
Rmerge	0.370	0.033	1.636
Rmeas	0.400	0.035	1.860
Rpim	0.150	0.013	0.873
Number of reflections	10321	200	1018
<I/σ(I)>	13.3	63	1.6
Completeness [%]	96.4	91.4	99.8
Redundancy	12.9	11.6	8.2
CC(1/2)	0.989	1.000	0.334

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		295	Protein solution (70 mg/ml): 40 mM Tris, pH 7.4, 2 mM MgCl2 Well solution: 2.4 M Sodium malonate pH 7.0 Drops: 1:1 ratio.