9YFS

Protiated E. coli YajL, 100K

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL12-2
Synchrotron site	SSRL
Beamline	BL12-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-10-24
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.729
Spacegroup name	P 21 21 21
Unit cell lengths	43.767, 78.474, 99.616
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.240 - 0.940
R-factor	0.1212
Rwork	0.121
R-free	0.13700
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.081
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.21.2_5419)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.240	0.960
High resolution limit [Å]	0.940	0.940
Number of reflections	222540	10804
<I/σ(I)>	11.1
Completeness [%]	99.9
Redundancy	7.3
CC(1/2)	0.999	0.303

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.1	295	19-22% PEG 4000, 225 mM MgCl2, and 100 mM Tris HCl, pH 8.1