9RIE

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]	295
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	36.260, 53.420, 49.020
Unit cell angles	90.00, 96.09, 90.00

Refinement procedure

Resolution	24.530 - 1.305
Rwork	0.147
R-free	0.18900
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.013
RMSD bond angle	2.093
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]	24.530	24.530	1.330
High resolution limit [Å]	1.300	7.150	1.300
Rmerge	0.037	0.014	0.502
Rmeas	0.052	0.019	0.710
Rpim	0.036	0.014	0.502
Number of reflections	39795	275	824
<I/σ(I)>	14.8	53	1.4
Completeness [%]	88.1	94.3	37.3
Redundancy	2.9	3.1	1.6
CC(1/2)	0.998	0.999	0.433

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		295	Protein solution (100 mg/ml): 40 mM Tris, pH 7.4, 2 mM MgCl2 Well solution: 0.15 M DL-malic acid, pH 7.0, 20 % PEG 3350 Drops: 1:1 ratio.