9BP1

Rhesus macaque ITS110.01 Fab in complex with SIV Env 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]	100
Detector technology	CCD
Collection date	2017-08-22
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	1
Spacegroup name	P 62
Unit cell lengths	210.174, 210.174, 46.175
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	39.720 - 3.580
R-factor	0.2226
Rwork	0.220
R-free	0.26840
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.441
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX (dev_5278)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	40.000	40.000	3.660
High resolution limit [Å]	3.580	9.730	3.580
Rmerge	0.140	0.089	0.969
Rmeas	0.170	0.107	1.259
Rpim	0.094	0.059	0.793
Number of reflections	13619	730	615
<I/σ(I)>	7.2
Completeness [%]	95.6	94	88.7
Redundancy	2.9	2.9	2
CC(1/2)	0.966	0.959	0.358

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	293	22% PEG8000 .1M Tris pH8.5