7CHR

AcrIF9

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 5C (4A)
Synchrotron site	PAL/PLS
Beamline	5C (4A)
Temperature [K]	125
Detector technology	PIXEL
Collection date	2020-05-26
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.9795
Spacegroup name	P 21 21 21
Unit cell lengths	27.230, 31.350, 80.700
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.222 - 1.210
R-factor	0.1885
Rwork	0.188
R-free	0.19540
Structure solution method	AB INITIO PHASING
RMSD bond length	0.005
RMSD bond angle	0.799
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX ((1.13_2998: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.240	1.270
High resolution limit [Å]	1.210	1.240
Rmeas	0.075
Number of reflections	271001	21825
<I/σ(I)>	17
Completeness [%]	100.0
Redundancy	12.4
CC(1/2)		0.528

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.06	293.15	0.1 M Tris-HCl pH 8.5 0.18 M Ammonium acetate 25 %(w/v) PEG 3350 40 %(v/v) 2,2,2-Trifluoroethanol