6MKB

Crystal structure of murine 4-1BB ligand

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-05-19
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97
Spacegroup name	P 31
Unit cell lengths	77.362, 77.362, 118.236
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	29.140 - 2.500
R-factor	0.191
Rwork	0.188
R-free	0.24100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6d3n
RMSD bond length	0.009
RMSD bond angle	1.180
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	BUSTER (2.10.3)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.590
High resolution limit [Å]	2.500	5.380	2.500
Rmerge	0.077	0.050	0.791
Rmeas	0.081	0.053	0.832
Rpim	0.025	0.016	0.256
Number of reflections	27191	2730	2727
<I/σ(I)>	4.9
Completeness [%]	99.7	99.8	99.9
Redundancy	10.4	10.5	10.4
CC(1/2)		0.995	0.827

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		295	2.4 M Ammonium sulfate, 0.1M MES pH 6.0