7MCH

Crystal structure of a single-chain E/F type bilin lyase-isomerase MpeQ in space group C2221

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-F
Synchrotron site	APS
Beamline	21-ID-F
Temperature [K]	100
Detector technology	CCD
Collection date	2020-03-03
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.9787
Spacegroup name	C 2 2 21
Unit cell lengths	136.875, 174.300, 113.857
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.900 - 2.950
R-factor	0.2487
Rwork	0.244
R-free	0.30830
Structure solution method	SAD
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	AutoSol
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.950
High resolution limit [Å]	2.900	2.900
Rmerge	0.149
Rpim	0.081
Number of reflections	26064	887
<I/σ(I)>	7
Completeness [%]	97.4
Redundancy	3.8
CC(1/2)	0.998	0.390

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	293	Protein concentration: 5 mg/mL; 2.1 M DL-Malic acid, pH 7.0