5UEM

Crystal structure of 354NC37 Fab in complex with HIV-1 clade AE strain 93TH057 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	2014-12-09
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	63.635, 67.507, 210.664
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	35.743 - 2.700
R-factor	0.2223
Rwork	0.220
R-free	0.26610
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3u7y
RMSD bond length	0.002
RMSD bond angle	0.610
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.12_2829)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	35.743	2.830
High resolution limit [Å]	2.640	2.700
Rmerge	0.120	0.630
Number of reflections	27104
<I/σ(I)>	14.4	2.9
Completeness [%]	100.0	100
Redundancy	6.7	6.7
CC(1/2)	0.990	0.830

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	293	0.1 M HEPES pH 7.5, 20% (w/v) PEG 10,000