6EJX

The metal ion-dependent adhesion site (MIDAS) of the alphaMbeta2 integrin Mac-1 I-domain promiscuously and competitively binds multiple ligands in the regulation of Leukocyte function

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID30B
Synchrotron site	ESRF
Beamline	ID30B
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-04-12
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.969
Spacegroup name	P 21 21 21
Unit cell lengths	61.537, 72.870, 164.053
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.220 - 2.000
R-factor	0.18541
Rwork	0.184
R-free	0.23175
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3p72
RMSD bond length	0.018
RMSD bond angle	1.935
Data reduction software	xia2
Data scaling software	Aimless
Refinement software	REFMAC (5.8.0158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.220
High resolution limit [Å]	2.000	2.000
Number of reflections	48095
<I/σ(I)>	5.3
Completeness [%]	98.7
Redundancy	3.66

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	20% v/v Ethylene glycol; 10 % w/v PEG 8000 0.1M Imidazole; MES monohydrate (acid) 0.02M 1,6-Hexanediol; 0.02M 1-Butanol; 0.02M 1,2-Propanediol; 0.02M 2- Propanol; 0.02M 1,4-Butanediol; 0.02M 1,3-Propanediol