7FAO

Top7 surface mutant K42A Q43A K46A K57S K58S, and I68R

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-5A
Synchrotron site	Photon Factory
Beamline	BL-5A
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-05-12
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.0000
Spacegroup name	P 1 21 1
Unit cell lengths	24.015, 86.298, 40.130
Unit cell angles	90.00, 97.18, 90.00

Refinement procedure

Resolution	19.910 - 1.430
R-factor	0.2048
Rwork	0.203
R-free	0.24220
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1qys
RMSD bond length	0.005
RMSD bond angle	0.731
Data reduction software	XDS
Data scaling software	XDS
Phasing software	MOLREP
Refinement software	PHENIX (1.17.1-3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	19.910	1.480
High resolution limit [Å]	1.430	1.430
Rmerge	0.034	0.495
Rmeas	0.040	0.592
Rpim	0.022	0.322
Number of reflections	29603	2966
<I/σ(I)>	17	2.5
Completeness [%]	98.8	99.9
Redundancy	3.2	3.2
CC(1/2)	0.999	0.886

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		292	PEG 8000, Sodium Cacodylate, Magnesium Acetate