6P8M

Crystal Structure of Antibody P-p3b3 A60C Heavy Chain in Complex with 426c HIV-1 gp120 core G459C

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.2
Synchrotron site	ALS
Beamline	5.0.2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-10-04
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1
Spacegroup name	C 2 2 2
Unit cell lengths	146.796, 176.755, 108.573
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 3.594
R-factor	0.2341
Rwork	0.232
R-free	0.26800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6mft
RMSD bond length	0.003
RMSD bond angle	0.737
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX ((1.15.2_3472))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	3.650
High resolution limit [Å]	3.590	3.590
Number of reflections	11547	468
<I/σ(I)>	7.75	1.075
Completeness [%]	82.5	75.8
Redundancy	2.8	2.4
CC(1/2)	0.990	0.801

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	293	0.67% PEG 4000, 0.67M Ammonium Citrate pH 5.5