5I9Q

Crystal structure of 3BNC55 Fab in complex with 426c.TM4deltaV1-3 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	2014-08-02
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.0
Spacegroup name	P 31 2 1
Unit cell lengths	122.850, 122.850, 264.960
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	37.543 - 3.000
R-factor	0.2523
Rwork	0.251
R-free	0.26970
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3rpi
RMSD bond length	0.006
RMSD bond angle	0.955
Data reduction software	XDS
Data scaling software	Aimless (0.5.17)
Phasing software	PHENIX
Refinement software	PHENIX ((1.10.1_2155: ???))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	39.690	39.690	3.100
High resolution limit [Å]	2.990	11.590	2.990
Rmerge	0.559	0.057	6.502
Rmeas	0.585
Rpim	0.171
Total number of observations	585694
Number of reflections	47150
<I/σ(I)>	9.2
Completeness [%]	99.5	97.7	95.7
Redundancy	12.4	10.7	11.8
CC(1/2)	0.974

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	293	0.1 M sodium citrate pH 5.5, 18% (w/v) PEG 1,000, 3% (v/v) ethylene glycol