5ZM3

Fe(II)/(alpha)ketoglutarate-dependent dioxygenase AndA with preandiloid B

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-1A
Synchrotron site	Photon Factory
Beamline	BL-1A
Temperature [K]	95
Detector technology	PIXEL
Collection date	2017-12-25
Detector	DECTRIS EIGER X 4M
Wavelength(s)	1.1
Spacegroup name	P 1
Unit cell lengths	62.642, 73.340, 86.971
Unit cell angles	75.97, 71.35, 89.68

Refinement procedure

Resolution	47.293 - 2.250
R-factor	0.2163
Rwork	0.213
R-free	0.27370
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5ybm
RMSD bond length	0.008
RMSD bond angle	0.993
Data scaling software	Aimless
Phasing software	PHENIX
Refinement software	PHENIX ((1.10.1_2155: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.350	2.300
High resolution limit [Å]	2.250	2.250
Rmerge	0.120	0.513
Number of reflections	65777	4400
<I/σ(I)>	6.4
Completeness [%]	97.7
Redundancy	3.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	30% (w/v) PEG 3350, 200mM sodium tartrate, 20% DMF