9L37

Crystal structure of AnAE-N267D-A101F 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	79.234, 79.234, 92.052
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	68.620 - 1.440
R-factor	0.1528
Rwork	0.152
R-free	0.17190
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	9l1r
RMSD bond length	0.012
RMSD bond angle	1.196
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]	68.620	1.460
High resolution limit [Å]	1.440	1.440
Rmerge	0.052	0.421
Number of reflections	60907	3018
<I/σ(I)>	23.5	1.6
Completeness [%]	100.0	100
Redundancy	14.8	11.6
CC(1/2)	0.999	0.714

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