8GBW

Crystal structure of PC39-23D, an anti-HIV broadly neutralizing antibody

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	2015-06-14
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97950
Spacegroup name	P 21 21 21
Unit cell lengths	48.284, 83.367, 151.767
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.530 - 1.500
R-factor	0.1826
Rwork	0.182
R-free	0.20140
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.013
RMSD bond angle	1.330
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	PHASER (2.5.6)
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.530
High resolution limit [Å]	1.500	1.500
Rpim	0.030	0.390
Number of reflections	98412	4847
<I/σ(I)>	22.7	2.1
Completeness [%]	99.6	99.4
Redundancy	12.7	9.4
CC(1/2)	0.960	0.810

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	293.15	0.1 M HEPES, 10% PEG 8000