9L2A

Crystal structure of AnAE-N267D 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	79.095, 79.095, 92.016
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	34.270 - 1.510
R-factor	0.14409
Rwork	0.143
R-free	0.16523
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.012
RMSD bond angle	1.955
Data reduction software	XDS (Jan 10, 2022)
Data scaling software	Aimless (0.7.4)
Phasing software	PHASER (2.8.3)
Refinement software	REFMAC (5.8.0425)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	38.190	1.530
High resolution limit [Å]	1.510	1.510
Rmerge	0.090	0.317
Number of reflections	53159	2583
<I/σ(I)>	23.6	8.5
Completeness [%]	100.0	99.9
Redundancy	19.4	16.9
CC(1/2)	0.998	0.979

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	288	2.0 M Ammonium sulfate, 0.1 M Tris(hydroxymethyl)aminomethane-HCl, pH 8.5