8AT0

PotF with mutation D247K

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.1
Synchrotron site	BESSY
Beamline	14.1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-10-07
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.918400
Spacegroup name	P 32 2 1
Unit cell lengths	70.700, 70.700, 272.640
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	45.550 - 2.000
R-factor	0.203
Rwork	0.202
R-free	0.24310
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1a99
RMSD bond length	0.003
RMSD bond angle	0.574
Data reduction software	XDS (20210323)
Data scaling software	XSCALE (20210323)
Phasing software	PHASER (2.8.3)
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.550	2.070
High resolution limit [Å]	2.000	2.000
Rmerge	0.181	2.980
Rmeas	0.190	3.120
Rpim	0.057	0.918
Number of reflections	54785	5385
<I/σ(I)>	11.2	0.7
Completeness [%]	99.9	100
Redundancy	11	11.5
CC(1/2)	0.999	0.256

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	9	293	2.4 M AmSO4, 0.1 M Bicine pH 9, 10% Jeffamine M600 pH7.0