9YZW

Joint Xray/Neutron structure of Escherichia coli YajL at room temperature

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	293
Detector technology	PIXEL
Collection date	2021-09-20
Detector	DECTRIS EIGER2 R 4M
Wavelength(s)	1.542
Spacegroup name	P 21 21 21
Unit cell lengths	44.289, 79.303, 100.183
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	14.600 - 1.790
Rwork	0.177
R-free	0.22260
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.223
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	100.180	1.860	1.710
High resolution limit [Å]	1.650	1.790	1.650
Number of reflections	43186	2863	4304
<I/σ(I)>	26.96
Completeness [%]	99.7
Redundancy	8.9
CC(1/2)	0.995	0.604	0.738

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	100 mM Tris pH=8.0, 250 mM MgCl2 and 20% PEG 4000
1	VAPOR DIFFUSION, SITTING DROP		291	100 mM Tris pH=8.0, 250 mM MgCl2 and 20% PEG 4000