7C3V

Structure of a thermostable 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]	80
Detector technology	CCD
Collection date	2019-06-15
Detector	BRUKER SMART 6000
Wavelength(s)	0.987
Spacegroup name	P 62
Unit cell lengths	102.867, 102.867, 65.908
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	24.708 - 2.200
R-factor	0.188526221083
Rwork	0.186
R-free	0.23090
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5z2x
RMSD bond length	0.004
RMSD bond angle	0.749
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHENIX
Refinement software	PHENIX (1.12_2829)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	24.710	10.000
High resolution limit [Å]	2.200	2.200
Rmerge	0.058	0.058
Number of reflections	18868	18868
<I/σ(I)>	2.79
Completeness [%]	93.1
Redundancy	5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		289	0.1M Bis-Tris pH7.2 36% PEG8000