6MTQ

Crystal structure of VRC42.N1 Fab in complex with T117-F MPER scaffold

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	2017-11-17
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	1.000
Spacegroup name	P 21 21 21
Unit cell lengths	44.206, 70.257, 212.152
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.847 - 2.700
R-factor	0.2088
Rwork	0.206
R-free	0.25930
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6mtp VRC42.04
RMSD bond length	0.002
RMSD bond angle	0.492
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((1.13_2998: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.750
High resolution limit [Å]	2.700	2.700
Rmerge	0.145	0.717
Rpim	0.099	0.499
Number of reflections	18549
<I/σ(I)>	9.3
Completeness [%]	97.3
Redundancy	2.9
CC(1/2)	0.864	0.521

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	293	5% PEG 400, 0.1M Magnesium sulfate, 2M Ammonium sulfate, 0.1M Tris, pH 8.5