6OFI

CRYSTAL STRUCTURE OF the RV144 C1-C2 SPECIFIC ANTIBODY CH55 FAB 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	2018-05-28
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97946
Spacegroup name	P 61 2 2
Unit cell lengths	90.644, 90.644, 408.994
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	41.430 - 3.850
R-factor	0.274
Rwork	0.271
R-free	0.32600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6oed 3tgt
RMSD bond length	0.005
RMSD bond angle	1.061
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	3.920
High resolution limit [Å]	3.850	3.850
Rmerge	0.249
Rpim		0.567
Number of reflections	8672	448
<I/σ(I)>	4.7
Completeness [%]	81.7	89.6
Redundancy	3.4	3.3
CC(1/2)		0.449

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	294	15% PEG 6000, 0.1 M sodium citrate pH 5.5