6MTT

Crystal structure of VRC46.01 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	2017-06-10
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	1.000
Spacegroup name	C 1 2 1
Unit cell lengths	124.602, 49.162, 99.967
Unit cell angles	90.00, 97.10, 90.00

Refinement procedure

Resolution	41.257 - 1.700
R-factor	0.2357
Rwork	0.235
R-free	0.26480
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	homology model of VRC46.01
RMSD bond length	0.004
RMSD bond angle	0.755
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	1.730
High resolution limit [Å]	1.700	1.700
Rmerge	0.134	0.860
Rpim	0.085	0.629
Number of reflections	62955
<I/σ(I)>	12.1
Completeness [%]	94.7
Redundancy	3.9
CC(1/2)	0.757	0.306

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	20% PEG 3350, 0.2M potassium iodide