9QOT

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 BM07
Synchrotron site	ESRF
Beamline	BM07
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	75.562, 64.633, 77.143
Unit cell angles	90.00, 88.90, 90.00

Refinement procedure

Resolution	41.660 - 2.300
R-factor	0.2136
Rwork	0.212
R-free	0.24990
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	0.907
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]	41.660	2.380
High resolution limit [Å]	2.300	2.300
Number of reflections	62265	3315
<I/σ(I)>	11.97
Completeness [%]	99.8
Redundancy	3.2
CC(1/2)	0.970	0.790

Crystallization Conditions

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