7MC4

Crystal structure of a single-chain E/F type bilin lyase-isomerase MpeQ

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 1 2 1
Unit cell lengths	114.389, 173.213, 83.818
Unit cell angles	90.00, 126.02, 90.00

Refinement procedure

Resolution	19.999 - 2.500
R-factor	0.2345
Rwork	0.232
R-free	0.28530
Structure solution method	SAD
RMSD bond length	0.009
RMSD bond angle	1.013
Data reduction software	xia2
Data scaling software	xia2
Phasing software	SHELXDE
Refinement software	PHENIX (1.10.1_2155)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	56.000	2.440
High resolution limit [Å]	2.400	2.400
Number of reflections	51398	2424
<I/σ(I)>	3.4
Completeness [%]	99.8
Redundancy	3.7
CC(1/2)	0.977	0.597

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