5T80

Crystal structure of 10E8 Fab in complex with the MPER epitope scaffold T117v2 and phosphatidic acid (06:0 PA)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL12-2
Synchrotron site	SSRL
Beamline	BL12-2
Temperature [K]	110
Detector technology	PIXEL
Collection date	2014-04-29
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97950
Spacegroup name	P 21 21 21
Unit cell lengths	55.221, 67.262, 196.843
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.970 - 2.620
R-factor	0.187
Rwork	0.184
R-free	0.24300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4g6f 3lf6
RMSD bond length	0.009
RMSD bond angle	1.087
Data reduction software	HKL-2000 (2.3.7)
Data scaling software	HKL-2000 (2.3.7)
Phasing software	PHASER (2.3.0)
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.968	2.690
High resolution limit [Å]	2.624	2.620
Rmerge		0.666
Number of reflections	21918
<I/σ(I)>	9.8	2.1
Completeness [%]	97.5	96.7
Redundancy	3.9	3.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	9.5	295.15	50% PEG 400, 0.2M NaCl, 0.1 M CHES pH 9.5