5IIE

STRUCTURE OF THE UNLIGANDED ANTI-HIV ANTIBODY DH501 THAT BINDS GP120 V3 GLYCAN AND THE BASE OF V3

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-BM
Synchrotron site	APS
Beamline	22-BM
Temperature [K]	93
Detector technology	CCD
Collection date	2015-08-15
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	76.113, 89.028, 132.131
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.477 - 2.800
R-factor	0.2118
Rwork	0.206
R-free	0.27290
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3aaz 4q2z
RMSD bond length	0.003
RMSD bond angle	0.782
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.850
High resolution limit [Å]	2.800	2.800
Rmerge	0.105	0.724
Number of reflections	22224
<I/σ(I)>	14.4	2.2
Completeness [%]	97.4	96.1
Redundancy	6.9	6.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	293	0.1 M HEPES pH 6.5, 20% PEG 6,000