7KQL

Anti-Tim3 antibody Fab complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 17-ID
Synchrotron site	APS
Beamline	17-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-03-04
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.0
Spacegroup name	P 1 21 1
Unit cell lengths	66.105, 63.856, 66.407
Unit cell angles	90.00, 94.25, 90.00

Refinement procedure

Resolution	48.560 - 1.490
R-factor	0.1778
Rwork	0.177
R-free	0.20020
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5f71 4nzu
RMSD bond length	0.009
RMSD bond angle	1.335
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.560	1.543
High resolution limit [Å]	1.490	1.490
Rmerge	0.056	0.475
Rmeas	0.068	0.568
Rpim	0.038	0.308
Number of reflections	88986	8955
<I/σ(I)>	13.01	2.33
Completeness [%]	98.7	99.62
Redundancy	3.2	3.3
CC(1/2)	0.990	0.884

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		295	Crystals of Tim3.18 hTim3 IgV were grown in hanging drops at 22C containing 1 uL protein and 1 uL well solution consisting of optimized conditions of 0.1M MES pH 7.0 and 14.6-15.4% PEG 3350, Single crystals were harvested with glycerol as the cryoprotectant, and flash frozen in liquid nitrogen.