9RL1

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 BM30A
Synchrotron site	ESRF
Beamline	BM30A
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-02-12
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9697
Spacegroup name	P 1 21 1
Unit cell lengths	79.205, 63.728, 79.132
Unit cell angles	90.00, 89.97, 90.00

Refinement procedure

Resolution	79.210 - 2.300
R-factor	0.2134
Rwork	0.211
R-free	0.26390
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.051
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]	79.210	2.380
High resolution limit [Å]	2.300	2.300
Number of reflections	64910	3335
<I/σ(I)>	7.47
Completeness [%]	99.3
Redundancy	3.3
CC(1/2)	0.990	0.914

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298	12% PEG3350, 50-90 mM Ammonium citrate