7CHQ

AcrIE2

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	26.960, 47.440, 56.110
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.050 - 1.330
R-factor	0.2081
Rwork	0.207
R-free	0.22520
Structure solution method	AB INITIO PHASING
RMSD bond length	0.005
RMSD bond angle	0.745
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHENIX
Refinement software	PHENIX ((1.17_3644: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	28.050	1.270
High resolution limit [Å]	1.210	1.240
Rmeas	0.047	0.369
Number of reflections	275146	216131
<I/σ(I)>	31.1
Completeness [%]	95.5
Redundancy	12.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293.15	30% PEG 8000, 0.2M lithium sulfate, 0.1M sodium acetate pH 4.8