8AUT

WelO5* L221A bound to Zn(II), Cl, 2-oxoglutarate, and 12-epi-hapalindole C

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06SA
Synchrotron site	SLS
Beamline	X06SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-05-08
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.000009
Spacegroup name	P 61 2 2
Unit cell lengths	106.458, 106.458, 385.220
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	49.170 - 2.685
Rwork	0.186
R-free	0.23150
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	8acv
RMSD bond length	0.007
RMSD bond angle	1.435
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0352)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.170	2.800
High resolution limit [Å]	2.680	2.680
Number of reflections	37222	4433
<I/σ(I)>	16.7
Completeness [%]	99.9
Redundancy	38.9
CC(1/2)	1.000	0.782

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	293.15	30% PEG-4000, 200 mM LiSO4, in 100 mM TRIS pH 8.5