6BCS

LilrB2 D1D2 domains complexed with benzamidine

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-C
Synchrotron site	APS
Beamline	24-ID-C
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-10-22
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.9795
Spacegroup name	P 41 21 2
Unit cell lengths	57.050, 57.050, 101.180
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.695 - 2.100
R-factor	0.1872
Rwork	0.182
R-free	0.23280
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2gw5
RMSD bond length	0.008
RMSD bond angle	1.023
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER (2.6.1)
Refinement software	PHENIX (1.12_2829)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	49.695	49.695	2.150
High resolution limit [Å]	2.100	9.390	2.100
Rmerge	0.089	0.045	0.737
Rmeas	0.093	0.047	0.769
Total number of observations	126498
Number of reflections	10310	150	745
<I/σ(I)>	17.98	40.22	3.9
Completeness [%]	99.9	100	99.9
Redundancy	12.269	10.027	12.034
CC(1/2)	0.999	0.999	0.909

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.53	298	1.03 M Ammonium sulfate, 0.1 M Bis-Tris pH 5.53, 2.76% PEG 3350, 1.4% w/v benzamidine