9L3B

Crystal structure of AnAE-N267D-Y269W 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	79.123, 79.123, 92.084
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	54.970 - 1.760
R-factor	0.1383
Rwork	0.137
R-free	0.16410
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	9l1r
RMSD bond length	0.011
RMSD bond angle	1.054
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]	54.970	1.800
High resolution limit [Å]	1.760	1.760
Rmerge	0.102	0.559
Number of reflections	33489	1886
<I/σ(I)>	20.5	4.6
Completeness [%]	100.0	99.8
Redundancy	18.9	18
CC(1/2)	0.997	0.955

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