9L34

Crystal structure of AnAE-H270A mutant

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NFPSS BEAMLINE BL19U1
Synchrotron site	NFPSS
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-05-04
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97853
Spacegroup name	P 32 2 1
Unit cell lengths	79.032, 79.032, 91.811
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	38.120 - 1.710
R-factor	0.1447
Rwork	0.144
R-free	0.16450
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	9l1r
RMSD bond length	0.007
RMSD bond angle	0.919
Data reduction software	XDS (Jan 10, 2022)
Data scaling software	Aimless (0.7.4)
Phasing software	PHASER (2.8.3)
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.910	1.740
High resolution limit [Å]	1.710	1.710
Rmerge	0.106	0.628
Number of reflections	36592	1904
<I/σ(I)>	19.4	5.2
Completeness [%]	100.0	99.6
Redundancy	19.4	18.4
CC(1/2)	0.998	0.941

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	288	1.6 M Ammonium sulfate, 10%(v/v) 1,4-dioxane, 0.1 M 2-Morpholinoethanesulphonic acid, pH 6.5