6TXZ

FAB PART OF M6903 IN COMPLEX WITH HUMAN TIM3

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 12.3.1
Synchrotron site	ALS
Beamline	12.3.1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-01-16
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.00000
Spacegroup name	C 2 2 21
Unit cell lengths	119.350, 270.115, 197.889
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.600 - 3.060
R-factor	0.197
Rwork	0.197
R-free	0.25300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5f71
RMSD bond length	0.009
RMSD bond angle	1.170
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	BUSTER
Refinement software	BUSTER (2.11.7)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	48.600	48.600	3.310
High resolution limit [Å]	3.060	19.430	3.060
Rmerge	0.075	0.018	0.502
Rmeas	0.087	0.022	0.583
Total number of observations	228723
Number of reflections	59975	258	12146
<I/σ(I)>	15.36	47.06	2.95
Completeness [%]	99.0	90.2	96.7
Redundancy	3.814	3.171	3.865
CC(1/2)	0.998	0.999	0.805

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	293	20% (v/v) PEG400, 0.1 M Tris HCL pH 8.0