9QP1

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	78.639, 64.586, 78.662
Unit cell angles	90.00, 90.02, 90.00

Refinement procedure

Resolution	42.150 - 2.650
R-factor	0.2005
Rwork	0.199
R-free	0.25650
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.038
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	2.740
High resolution limit [Å]	2.650	2.650
Number of reflections	42758	2315
<I/σ(I)>	12.81
Completeness [%]	99.6
Redundancy	3.3
CC(1/2)	0.985	0.663

Crystallization Conditions

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