6OZ3

Crystal structure of broadly neutralizing antibody N49P9.1 Fab in complex with HIV-1 Clade A/E strain 93TH057 gp120 core

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	2018-11-09
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97946
Spacegroup name	I 21 21 21
Unit cell lengths	104.754, 110.454, 152.165
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	34.030 - 3.150
R-factor	0.2453
Rwork	0.243
R-free	0.29540
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3tgt 3tnn
RMSD bond length	0.006
RMSD bond angle	0.999
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((1.17.1_3660: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	3.200
High resolution limit [Å]	3.150	3.150
Rmerge	0.138	0.794
Rpim	0.072	0.414
Number of reflections	14779	746
<I/σ(I)>	12.8	1
Completeness [%]	94.4	96.4
Redundancy	4	4
CC(1/2)		0.650

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	294	12% PEG 6000 0.1 M Bis-Tris pH 6.5