4D9L

Fab structure of anti-HIV-1 gp120 V2 mAb 697

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-D
Synchrotron site	APS
Beamline	23-ID-D
Temperature [K]	100
Detector technology	CCD
Collection date	2011-04-11
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	1.03330
Spacegroup name	P 1
Unit cell lengths	68.322, 82.460, 93.212
Unit cell angles	82.12, 70.41, 86.27

Refinement procedure

Resolution	47.267 - 2.485
R-factor	0.1796
Rwork	0.176
R-free	0.23760
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2g75
RMSD bond length	0.008
RMSD bond angle	1.255
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]	47.267	2.540
High resolution limit [Å]	2.485	2.485
Number of reflections	65386
<I/σ(I)>	12.5
Completeness [%]	98.4	95.2
Redundancy	3.8	2.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	296	18% polyethylene glycol 8000 and 0.1 M Tris pH 8.5 , VAPOR DIFFUSION, HANGING DROP, temperature 296K