7WMK

PQQ-dependent alcohol dehydrogenase complexed with PQQ

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-07-03
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1
Spacegroup name	C 1 2 1
Unit cell lengths	109.973, 91.190, 57.332
Unit cell angles	90.00, 103.78, 90.00

Refinement procedure

Resolution	44.151 - 1.470
R-factor	0.1385
Rwork	0.138
R-free	0.14010
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7wmd
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHENIX
Refinement software	PHENIX (1.16_3549)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.250	1.540
High resolution limit [Å]	1.470	1.470
Number of reflections	95115	15196
<I/σ(I)>	14.16
Completeness [%]	98.7
Redundancy	6.6
CC(1/2)	0.998	0.894

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	EVAPORATION		293	250mM Sodium acetate, 100mM BIS-Tris (pH 7.5), 150mM NaCl, 15% PEG 3350