9JZO

Crystal structure of PHICD111_20024_EAD.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 11C
Synchrotron site	PAL/PLS
Beamline	11C
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-06-21
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97942
Spacegroup name	P 1
Unit cell lengths	41.630, 43.100, 54.200
Unit cell angles	112.97, 90.11, 118.18

Refinement procedure

Resolution	26.060 - 1.400
R-factor	0.1619
Rwork	0.160
R-free	0.19460
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	AlphaFold
RMSD bond length	0.005
RMSD bond angle	0.837
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	26.060	1.450
High resolution limit [Å]	1.400	1.400
Number of reflections	50347	5085
<I/σ(I)>	16.51
Completeness [%]	85.9
Redundancy	3.7
CC(1/2)	0.998	0.982

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.1 M HEPES (pH 7.5), 0.2 M lithium sulfate monohydrate, 25% (w/v) PEG 3350, and 50% (v/v) PEG 400