9BLX

Rhesus macaque ITS111.01 Fab in complex with SIV 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	C 1 2 1
Unit cell lengths	166.865, 118.834, 66.541
Unit cell angles	90.00, 104.70, 90.00

Refinement procedure

Resolution	33.940 - 1.960
R-factor	0.1786
Rwork	0.178
R-free	0.20440
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.013
RMSD bond angle	1.041
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	PHENIX
Refinement software	PHENIX (dev_5278)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	40.000	40.000	2.030
High resolution limit [Å]	1.960	5.420	1.960
Rmerge		0.157	0.477
Rmeas	0.229	0.178	0.590
Rpim	0.108	0.083	0.341
Number of reflections	85905	4531	3569
<I/σ(I)>	8.1
Completeness [%]	96.8	99.8	80.9
Redundancy	3.9	4.6	2.2
CC(1/2)		0.945	0.708

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.1M MgCl2 25% PEG 400 20% PEG 3350 0.1M Tris-HCl pH 8.5 (glycerol for cryoprotectant)