9L2J

Crystal structure of AnAE-S34A 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	2024-05-02
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97861
Spacegroup name	P 32 2 1
Unit cell lengths	77.910, 77.910, 90.107
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	29.470 - 1.500
R-factor	0.1475
Rwork	0.146
R-free	0.16790
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.175
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]	29.470	1.530
High resolution limit [Å]	1.500	1.500
Rmerge	0.043	0.419
Number of reflections	50685	2490
<I/σ(I)>	47.8	7
Completeness [%]	100.0	99.8
Redundancy	18.9	16.6
CC(1/2)	1.000	0.969

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