5IQ9

Crystal structure of 10E8v4 Fab in complex with an HIV-1 gp41 peptide.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	93
Detector technology	CCD
Collection date	2014-08-15
Detector	RAYONIX MX300-HS
Wavelength(s)	1.0000
Spacegroup name	P 21 21 21
Unit cell lengths	65.025, 79.529, 211.367
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.448 - 2.400
R-factor	0.1928
Rwork	0.191
R-free	0.23600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4g6f
RMSD bond length	0.003
RMSD bond angle	0.535
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.490
High resolution limit [Å]	2.400	5.170	2.400
Rmerge	0.103	0.058	0.462
Rmeas	0.127
Rpim	0.073
Total number of observations	101101
Number of reflections	39438
<I/σ(I)>	6.5
Completeness [%]	87.3	75.7	91.1
Redundancy	2.6	2.8	2.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	293	15% PEG3350, 25% Isopropanol, 0.1M Tris-HCl, 8.5, 10% Jeffamine.