5Z2X

Structure of Alcohol dehydrogenase from Kluyveromyces polyspora(KpADH)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL18U1
Synchrotron site	SSRF
Beamline	BL18U1
Temperature [K]	100
Detector technology	CCD
Collection date	2017-12-10
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97853
Spacegroup name	P 61
Unit cell lengths	102.652, 102.652, 134.080
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	33.706 - 1.980
R-factor	0.1606
Rwork	0.159
R-free	0.19040
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4pvc
RMSD bond length	0.008
RMSD bond angle	0.942
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHENIX (1.12-2829)
Refinement software	PHENIX (1.12-2829)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.050
High resolution limit [Å]	1.980	1.980
Rmerge	0.100	0.487
Number of reflections	55577	571154
<I/σ(I)>	19.92	4.778
Completeness [%]	99.5	99.5
Redundancy	5.1	5.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	291	ammonium acetate, HEPES,31%PEG3350