9YGW

Perdeuterated 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	43.727, 78.410, 99.510
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.200 - 0.880
R-factor	0.1132
Rwork	0.113
R-free	0.12520
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.136
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]	40.030	0.890
High resolution limit [Å]	0.880	0.880
Rmeas	0.060	2.642
Number of reflections	269868	13123
<I/σ(I)>	16
Completeness [%]	99.9
Redundancy	7.9
CC(1/2)	1.000	0.395

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		295	16-18% PEG 4000, 225 mM MgCl2, and 100 mM Tris HCl, pH=8.1