6MTP

Crystal structure of VRC42.04 Fab in complex with gp41 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	2017-04-13
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	1.000
Spacegroup name	P 2 21 21
Unit cell lengths	42.013, 149.796, 160.277
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.467 - 2.036
R-factor	0.1999
Rwork	0.199
R-free	0.22280
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	homology model of VRC42.04
RMSD bond length	0.003
RMSD bond angle	0.599
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((1.14_3260: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.090
High resolution limit [Å]	2.036	2.036
Rmerge	0.131	0.808
Rpim	0.051	0.410
Number of reflections	61621
<I/σ(I)>	12.6
Completeness [%]	93.6
Redundancy	6.4
CC(1/2)	0.869	0.584

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	293	14% PEG 3350, 10% iso-propanol, 0.1M Tris, pH 8.5