6ZCV

Crystal structure of lanthanide-dependent alcohol dehydrogenase PedH from Pseudomonas putida KT2440

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P14 (MX2)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P14 (MX2)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-12-09
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97626
Spacegroup name	P 43 21 2
Unit cell lengths	105.530, 105.530, 186.880
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.190 - 1.700
R-factor	0.1426
Rwork	0.142
R-free	0.16010
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1flg
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.720	1.765
High resolution limit [Å]	1.600	1.704
Rmerge	0.175
Rmeas	0.178
Number of reflections	115355	11332
<I/σ(I)>	15.92
Completeness [%]	100.0
Redundancy	27
CC(1/2)	0.999	0.677

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	293	0.25 mM PedHF412V/W561A was co-crystallized with equimolar concentration of PQQ and metal of PrCl3 within 24h days in 0.2 M Lithium sulfate, 0.1 M sodium cacodylate pH = 6.5, 30 % PEG 400