5E6R

Structures of leukocyte integrin aLb2: The aI domain, the headpiece, and the pocket for the internal ligand

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-B
Synchrotron site	APS
Beamline	23-ID-B
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2012-04-07
Detector	MAR scanner 300 mm plate
Wavelength(s)	1.03321
Spacegroup name	P 61
Unit cell lengths	153.929, 153.929, 116.454
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	46.242 - 2.901
R-factor	0.1957
Rwork	0.193
R-free	0.22890
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4neh
RMSD bond length	0.012
RMSD bond angle	0.788
Data reduction software	XDS
Data scaling software	XDS
Refinement software	PHENIX ((1.10_2155: ???))

Data quality characteristics

	Overall
Low resolution limit [Å]	50.000
High resolution limit [Å]	2.000
Rmerge	0.093
Number of reflections	33981
<I/σ(I)>	9.47
Completeness [%]	99.9
Redundancy	3.11

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		277	0.1 M MES pH 6.5, 15% PEG 3350