5YAT

Crystal structure of mitochondrial alcohol dehydrogenase isozyme III from Komagataella phaffii GS115

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U1
Synchrotron site	SSRF
Beamline	BL17U1
Temperature [K]	100
Detector technology	CCD
Collection date	2017-06-18
Detector	ADSC QUANTUM 315
Wavelength(s)	0.979158
Spacegroup name	P 64
Unit cell lengths	111.856, 111.856, 105.520
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	36.613 - 1.745
R-factor	0.184
Rwork	0.182
R-free	0.21160
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4w6z
RMSD bond length	0.004
RMSD bond angle	0.747
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX (1.11.1_2575)

Data quality characteristics

	Overall
Low resolution limit [Å]	96.880
High resolution limit [Å]	1.745
Rmerge	0.205
Number of reflections	72896
<I/σ(I)>	14.3
Completeness [%]	99.9
Redundancy	21.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	277	13% (v/v) 2-propanol, 0.2 M Zinc acetate, 0.1M Sodium cacodylate/Hydrochloric acid, pH 6.5