9QN6

APH(2'')-IVa with a fragment

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	2018-04-20
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9798
Spacegroup name	P 1 21 1
Unit cell lengths	76.310, 65.390, 77.420
Unit cell angles	90.00, 91.39, 90.00

Refinement procedure

Resolution	49.950 - 2.300
R-factor	0.2262
Rwork	0.224
R-free	0.27830
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	0.917
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]	49.950	2.380
High resolution limit [Å]	2.300	2.300
Number of reflections	33269	3373
<I/σ(I)>	13.44
Completeness [%]	94.3
Redundancy	2.9
CC(1/2)	0.995	0.914

Crystallization Conditions

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