6U6M

Crystal structure of a vaccine-elicited anti-HIV-1 rhesus macaque antibody DH840.1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-BM
Synchrotron site	APS
Beamline	19-BM
Temperature [K]	100
Detector technology	CCD
Collection date	2017-10-20
Detector	ADSC QUANTUM 210r
Wavelength(s)	0.98
Spacegroup name	P 21 21 21
Unit cell lengths	66.110, 75.080, 93.110
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.566 - 2.683
R-factor	0.2249
Rwork	0.220
R-free	0.26950
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6c6x
RMSD bond length	0.002
RMSD bond angle	0.503
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.11.1_2575)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.570	2.779
High resolution limit [Å]	2.683	2.683
Rmerge	0.179	0.684
Rmeas	0.199	0.780
Rpim	0.085	0.368
Number of reflections	12547	1171
<I/σ(I)>	12.01	3.56
Completeness [%]	93.0	87.98
Redundancy	4.4	3.6
CC(1/2)	0.990	0.795

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.2	293	0.2 M Sodium chloride, 0.1 M Phosphate/citrate, 20 % w/v PEG 8000