4JO1

Crystal structure of rabbit mAb R56 Fab in complex with V3 crown of HIV-1 JR-FL gp120

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X6A
Synchrotron site	NSLS
Beamline	X6A
Temperature [K]	100
Detector technology	CCD
Collection date	2010-06-06
Detector	ADSC QUANTUM 270
Wavelength(s)	1.0
Spacegroup name	P 1 21 1
Unit cell lengths	70.514, 74.347, 84.438
Unit cell angles	90.00, 90.01, 90.00

Refinement procedure

Resolution	36.226 - 2.033
R-factor	0.1834
Rwork	0.181
R-free	0.22320
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2x71
RMSD bond length	0.008
RMSD bond angle	1.168
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	PHENIX ((phenix.refine: 1.7.3_928))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	36.226	2.070
High resolution limit [Å]	2.033	2.033
Rmerge	0.074	0.642
Number of reflections	56014
<I/σ(I)>	18.9	2.4
Completeness [%]	99.5	94.2
Redundancy	4.2	3.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	296	26% PEG6000, 1 M lithium chloride, 0.1 M Tris, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 296K