6U6O

Crystal structure of a vaccine-elicited anti-HIV-1 rhesus macaque antibody DH846

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	2019-08-07
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.98
Spacegroup name	P 1 21 1
Unit cell lengths	71.018, 36.991, 87.921
Unit cell angles	90.00, 111.96, 90.00

Refinement procedure

Resolution	43.844 - 2.806
R-factor	0.2152
Rwork	0.212
R-free	0.27230
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6u6m
RMSD bond length	0.003
RMSD bond angle	0.693
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]	50.000	2.900
High resolution limit [Å]	2.800	2.800
Rmeas		0.757
Rpim		0.437
Number of reflections	9288	1097
<I/σ(I)>	5.2	1.6
Completeness [%]	85.2
Redundancy	2.7	2.6
CC(1/2)	0.949	0.599

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		278	0.3M Magnesium chloride hexahydrate, 0.3M Calcium chloride dihydrate, 1.0M Imidazole; MES monohydrate (acid) pH6.5, 25% MPD, 25% PEG 1000, 25% PEG 3350