7U0B

Crystal structure of broadly neutralizing antibody HEPC3.1

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	2018-07-19
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.98
Spacegroup name	I 21 3
Unit cell lengths	171.613, 171.613, 171.613
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	60.674 - 2.790
R-factor	0.2133
Rwork	0.211
R-free	0.24350
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6med
Data reduction software	MOSFLM
Data scaling software	Aimless (0.7.2)
Phasing software	PHASER
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	85.810	85.810	2.940
High resolution limit [Å]	2.790	8.820	2.790
Rmerge	0.218	0.064	6.447
Rmeas	0.225	0.066	6.673
Rpim	0.055	0.016	1.686
Total number of observations	347747	12056	44582
Number of reflections	21038	728	2982
<I/σ(I)>	9.1	23.8	0.5
Completeness [%]	99.7	99.9	97.7
Redundancy	16.5	16.6	15
CC(1/2)	0.998	0.999	0.318

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298	2.0 M Ammonium sulfate