6UBI

N123-VRC34.05 HIV neutralizing antibody in complex with HIV fusion peptide residue 512-519

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-12-07
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1
Spacegroup name	P 1 21 1
Unit cell lengths	80.933, 44.278, 125.375
Unit cell angles	90.00, 96.20, 90.00

Refinement procedure

Resolution	41.724 - 1.903
R-factor	0.2394
Rwork	0.237
R-free	0.28840
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	1.165
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.930
High resolution limit [Å]	1.900	5.160	1.900
Rmerge	0.124	0.066	0.381
Rmeas	0.146	0.079	0.458
Rpim	0.077	0.042	0.251
Total number of observations	229936
Number of reflections	67167	3646	2709
<I/σ(I)>	5.6
Completeness [%]	96.4	98.9	78.4
Redundancy	3.4	3.5	2.7
CC(1/2)		0.991	0.815

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.1 M HEPES, pH 7, 30% PEG6000