8HLG

Crystal structure of MoaE

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U1
Synchrotron site	SSRF
Beamline	BL17U1
Temperature [K]	95
Detector technology	PIXEL
Collection date	2019-10-24
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9792
Spacegroup name	C 2 2 21
Unit cell lengths	62.020, 94.950, 101.110
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.650 - 2.000
R-factor	0.1965
Rwork	0.194
R-free	0.23560
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	0.722
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	BALBES
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	30.000	30.000	2.050
High resolution limit [Å]	2.000	8.940	2.000
Rmerge	0.057	0.028	0.560
Rmeas	0.062	0.031	0.608
Number of reflections	20539	264	1477
<I/σ(I)>	16.56
Completeness [%]	99.9
Redundancy	6.4
CC(1/2)	0.999	0.999	0.909

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	293	Lithium Sulfate, Tris-HCl, PEG 3350