9L39

Crystal structure of AnAE-N267D-I139D 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	79.207, 79.207, 91.906
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	39.600 - 1.490
R-factor	0.1431
Rwork	0.142
R-free	0.15690
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	9l1r
RMSD bond length	0.011
RMSD bond angle	1.139
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]	45.950	1.510
High resolution limit [Å]	1.490	1.490
Rmerge	0.054	0.842
Number of reflections	55327	2692
<I/σ(I)>	31.4	3.5
Completeness [%]	100.0	99.8
Redundancy	19	15.8
CC(1/2)	0.998	0.849

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