6OEJ

CRYSTAL STRUCTURE OF THE NON-NEUTRALIZING AND ADCC-POTENT ANTIBODY C11 IN COMPLEX WITH HIV-1 CLADE A/E GP120

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	2017-07-29
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97946
Spacegroup name	P 21 21 21
Unit cell lengths	89.371, 110.961, 217.563
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.424 - 3.450
R-factor	0.2337
Rwork	0.231
R-free	0.28410
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4fz8 3tgt
RMSD bond length	0.004
RMSD bond angle	0.853
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((1.13_2998: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	3.510
High resolution limit [Å]	3.450	3.450
Rmerge	0.162	0.685
Rpim	0.117	0.496
Number of reflections	26654	1270
<I/σ(I)>	6.6	1.1
Completeness [%]	91.3	89.6
Redundancy	2.7	2.5
CC(1/2)		0.550

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5	294	17% PEG 6000 0.1 M sodium citrate pH 5.0