8ZLS

Apo structure of BBE-like oxidative cyclase MaDS1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL02U1
Synchrotron site	SSRF
Beamline	BL02U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-11-29
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97915
Spacegroup name	P 1 21 1
Unit cell lengths	53.244, 125.002, 85.229
Unit cell angles	90.00, 95.85, 90.00

Refinement procedure

Resolution	26.480 - 2.210
R-factor	0.1751
Rwork	0.173
R-free	0.22310
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	0.906
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	26.480	2.250
High resolution limit [Å]	2.200	2.200
Number of reflections	54398	2670
<I/σ(I)>	6.7
Completeness [%]	99.6
Redundancy	6.1
CC(1/2)	0.983	0.891

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	291.15	0.2 M magnesium chloride, 0.1 M Bis-Tris (pH 6.5), and 25% PEG mme 2000, and 0.1 M glycine