9QPD

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	2022-12-02
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9897
Spacegroup name	P 1 21 1
Unit cell lengths	79.107, 64.553, 72.327
Unit cell angles	90.00, 91.00, 90.00

Refinement procedure

Resolution	53.840 - 2.300
R-factor	0.2003
Rwork	0.198
R-free	0.24650
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	0.994
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]	53.840	2.380
High resolution limit [Å]	2.300	2.300
Number of reflections	54081	3155
<I/σ(I)>	11.13
Completeness [%]	96.0
Redundancy	1.8
CC(1/2)	0.962	0.629

Crystallization Conditions

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