6ME1

Crystal structure of the clade B isolate B41 mutant fusion peptide (residues 512-521) in complex with VRC34.01

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-B
Synchrotron site	APS
Beamline	23-ID-B
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-04-06
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.0332
Spacegroup name	P 1 21 1
Unit cell lengths	42.421, 123.670, 101.253
Unit cell angles	90.00, 90.87, 90.00

Refinement procedure

Resolution	38.180 - 1.970
R-factor	0.2013
Rwork	0.199
R-free	0.23800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5i8c
RMSD bond length	0.003
RMSD bond angle	0.616
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((1.12_2829))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.010
High resolution limit [Å]	1.970	1.970
Number of reflections	72903	3639
<I/σ(I)>	11.4	1.1
Completeness [%]	99.3	99.6
Redundancy	3.2	3.1
CC(1/2)	0.890	0.640

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293.15	0.2M sodium sulfate, 20%(w/v) PEG 3350