6MDT

Crystal structure of the B41 SOSIP.664 Env trimer with PGT124 and 35O22 Fabs, in P63 space group

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL12-2
Synchrotron site	SSRL
Beamline	BL12-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-02-22
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97946
Spacegroup name	P 63
Unit cell lengths	129.343, 129.343, 313.071
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	41.956 - 3.816
R-factor	0.2952
Rwork	0.294
R-free	0.31110
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4r26 5cez
RMSD bond length	0.004
RMSD bond angle	0.911
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX ((1.12_2829))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	3.940
High resolution limit [Å]	3.800	3.800
Number of reflections	28747	2842
<I/σ(I)>	6.4	1.8
Completeness [%]	99.9	99.9
Redundancy	10.9	9.6
CC(1/2)	0.770	0.270

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277.15	0.1M Calcium acetate, 0.1M MES (pH 6), 15%(v/v) PEG400