6DHB

Crystal structure of the human TIM-3 with bound Calcium

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-G
Synchrotron site	APS
Beamline	21-ID-G
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-04-18
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.97857
Spacegroup name	P 21 21 21
Unit cell lengths	42.310, 43.060, 51.720
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	33.090 - 1.700
R-factor	0.15174
Rwork	0.150
R-free	0.18054
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5f71 2oyp
RMSD bond length	0.023
RMSD bond angle	2.056
Data reduction software	MOSFLM
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0103)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	43.060	1.730
High resolution limit [Å]	1.700	1.700
Rmerge	0.046	0.085
Number of reflections	10879
<I/σ(I)>	31.1
Completeness [%]	99.1
Redundancy	9.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	298	Tris, PEG