4U6G

Crystal structure of 10E8 Fab in complex with a hydrocarbon-stapled HIV-1 gp41 MPER peptide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	80
Detector technology	CCD
Collection date	2013-03-01
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	1.0000
Spacegroup name	P 21 21 21
Unit cell lengths	68.562, 126.317, 129.875
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.053 - 4.201
R-factor	0.2282
Rwork	0.225
R-free	0.28060
RMSD bond length	0.003
RMSD bond angle	0.640
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Refinement software	PHENIX ((phenix.refine: 1.8.4_1496))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	4.250
High resolution limit [Å]	4.150	10.210	4.150
Rmerge	0.302	0.103	0.564
Total number of observations	52206
Number of reflections	8148
<I/σ(I)>	3.1
Completeness [%]	95.1	98.3	83.3
Redundancy	6.4	6.6	5.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	293	32% Isopropanol, 7.5% PEG 8000, 0.1 M Imidazole pH 6.5