9QOL

APH(2'')-IVa with a fragment

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE MASSIF-1
Synchrotron site	ESRF
Beamline	MASSIF-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-06-10
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9897
Spacegroup name	P 1 21 1
Unit cell lengths	77.921, 65.630, 75.818
Unit cell angles	90.00, 91.75, 90.00

Refinement procedure

Resolution	75.780 - 2.130
R-factor	0.2181
Rwork	0.216
R-free	0.25210
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	0.948
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	75.970	2.200
High resolution limit [Å]	2.130	2.130
Number of reflections	72852	4035
<I/σ(I)>	10.08
Completeness [%]	92.9
Redundancy	2.9
CC(1/2)	0.994	0.460

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291	12% PEG3350, 50-90 mM Ammonium citrate