6VI2

Structure of the unaligned Fab4

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	292
Detector technology	PIXEL
Collection date	2019-12-12
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.98
Spacegroup name	P 1 21 1
Unit cell lengths	64.765, 65.843, 107.419
Unit cell angles	90.00, 99.83, 90.00

Refinement procedure

Resolution	14.990 - 1.150
R-factor	0.1576
Rwork	0.158
R-free	0.17090
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5eu7
Data reduction software	HKL-3000
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	15.000	1.190
High resolution limit [Å]	1.150	1.150
Rpim	0.027	0.559
Number of reflections	293620	18649
<I/σ(I)>	50.4	1.9
Completeness [%]	93.8	59.8
Redundancy	4.7	3
CC(1/2)		0.511

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	292	0.1 M Tris pH 8.5, 25% (w/v) Polyethylene glycol 3350