6ZCW

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	105.280, 105.280, 187.130
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.080 - 1.650
Rwork	0.156
R-free	0.17170
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1flg
RMSD bond length	0.006
RMSD bond angle	0.883
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHENIX
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.810	1.709
High resolution limit [Å]	1.650	1.650
Rmeas	0.212
Rpim	0.044
Number of reflections	126727	12456
<I/σ(I)>	14.27
Completeness [%]	100.0
Redundancy	26.7
CC(1/2)	0.999	0.525

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.6	293.15	0.25 mM PedH with equimolar concentration of PQQ and metal of interest in 0.1 M sodium acetate pH 4.6 and 30 % (w/v) PEG 2000 MME