6W4M

CRYSTAL STRUCTURE OF THE ADCC-POTENT, WEAKLY NEUTRALIZING HIV ENV CO-RECEPTOR BINDING SITE ANTIBODY N12-I2 FAB IN COMPLEX WITH HIV-1 CLADE A/E GP120 AND M48U1

Replaces:  5UWE

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	2016-01-07
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97946
Spacegroup name	P 21 21 21
Unit cell lengths	52.687, 69.522, 213.468
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.340 - 3.200
R-factor	0.2439
Rwork	0.241
R-free	0.30110
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5UWE
RMSD bond length	0.003
RMSD bond angle	0.686
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	3.260
High resolution limit [Å]	3.200	3.200
Rmerge	0.321	0.521
Rpim	0.156	0.434
Number of reflections	12129	456
<I/σ(I)>	6.3	1.1
Completeness [%]	88.5	66.9
Redundancy	4.3
CC(1/2)	0.931	0.611

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	294	15% PEG 6000 5% MPD 0.1 M MES pH 6.5
1	VAPOR DIFFUSION, HANGING DROP	6.5	294	15% PEG 6000 5% MPD 0.1 M MES pH 6.5