9QP5

APH(2'')-IVa with an inhibitor

This is a non-PDB format compatible entry.

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	77.600, 65.254, 76.412
Unit cell angles	90.00, 91.62, 90.00

Refinement procedure

Resolution	42.150 - 2.350
R-factor	0.214
Rwork	0.213
R-free	0.27200
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.012
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]	42.150	2.430
High resolution limit [Å]	2.350	2.350
Number of reflections	57000	3164
<I/σ(I)>	10.96
Completeness [%]	99.5
Redundancy	3.4
CC(1/2)	0.996	0.704

Crystallization Conditions

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