6MED

Crystal structure of broadly neutralizing antibody HEPC3

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL12-2
Synchrotron site	SSRL
Beamline	BL12-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-11-17
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.2
Spacegroup name	P 2 21 21
Unit cell lengths	98.910, 108.690, 166.250
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.583 - 2.040
R-factor	0.1832
Rwork	0.181
R-free	0.21630
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4mwf
Data reduction software	MOSFLM
Data scaling software	Aimless (0.7.1)
Phasing software	PHASER
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	85.000	85.000	2.070
High resolution limit [Å]	2.040	11.170	2.040
Rmerge	0.102	0.030	1.050
Rmeas	0.115	0.034	1.194
Rpim	0.054	0.016	0.559
Total number of observations	502647	2994	24275
Number of reflections	114454	755	5600
<I/σ(I)>	9.2	21.3	1.4
Completeness [%]	100.0	95.8	99.9
Redundancy	4.4	4	4.3
CC(1/2)	0.997	0.999	0.540

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.3	298	2.0M ammonium sulfate, 0.3M sodium chloride, and 0.1M sodium cacodylate pH 6.3