9L1K

sdAbA YERLS mutant

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-5A
Synchrotron site	Photon Factory
Beamline	BL-5A
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-11-23
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	1.0000
Spacegroup name	P 21 21 21
Unit cell lengths	52.393, 113.251, 113.938
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.600 - 1.570
Rwork	0.136
R-free	0.17010
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	1.507
Data reduction software	XDS (20230630)
Data scaling software	Aimless (0.7.13)
Phasing software	PHASER (2.8.3)
Refinement software	REFMAC (5.8.0425)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.600	1.600
High resolution limit [Å]	1.570	1.570
Rmerge	0.048	0.730
Rpim	0.022	0.392
Number of reflections	93118	4509
<I/σ(I)>	17.2	2.2
Completeness [%]	97.9
Redundancy	4.4
CC(1/2)	0.999	0.695

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.4	293.15	0.2M Ammonium sulfate, 30% PEG 4000