9QNX

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	2020-11-21
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9897
Spacegroup name	P 1 21 1
Unit cell lengths	74.995, 65.248, 77.164
Unit cell angles	90.00, 91.63, 90.00

Refinement procedure

Resolution	49.820 - 2.110
R-factor	0.2488
Rwork	0.247
R-free	0.28980
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	0.977
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]	49.820	2.180
High resolution limit [Å]	2.110	2.110
Number of reflections	77372	3978
<I/σ(I)>	4.14
Completeness [%]	95.9
Redundancy	3.1
CC(1/2)	0.928	0.490

Crystallization Conditions

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