9L3A

Crystal structure of AnAE-N267D-Y102W 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	2023-11-27
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97853
Spacegroup name	P 32 2 1
Unit cell lengths	79.041, 79.041, 91.553
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	39.520 - 2.060
R-factor	0.1586
Rwork	0.157
R-free	0.19100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	9l1r
RMSD bond length	0.004
RMSD bond angle	0.695
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.780	2.110
High resolution limit [Å]	2.060	2.060
Rmerge	0.094	0.534
Number of reflections	20478	1166
<I/σ(I)>	25.5	2.7
Completeness [%]	97.3	73.8
Redundancy	15.1	2.9
CC(1/2)	0.998	0.566

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