6MTO

Crystal structure of VRC42.01 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	2017-07-06
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	1.000
Spacegroup name	C 1 2 1
Unit cell lengths	185.280, 47.418, 79.791
Unit cell angles	90.00, 112.09, 90.00

Refinement procedure

Resolution	30.263 - 2.634
R-factor	0.2257
Rwork	0.221
R-free	0.26940
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6mtp VRC42.04
RMSD bond length	0.002
RMSD bond angle	0.528
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	2.700
High resolution limit [Å]	2.630	2.630
Rmerge	0.104	0.556
Rpim	0.062	0.479
Number of reflections	17700
<I/σ(I)>	11.3
Completeness [%]	92.4
Redundancy	3.4
CC(1/2)	0.867	0.555

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	293	10% PEG 400, 2% PEG 3350, 0.1M Na Acetate 5.5