5ZED

Crystal structure of Kluyveromyces polyspora ADH (KpADH) mutant (E214V/T215S)

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	2017-11-10
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97778
Spacegroup name	P 61
Unit cell lengths	102.448, 102.448, 133.896
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	47.842 - 2.199
R-factor	0.172
Rwork	0.170
R-free	0.21500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5z2x
RMSD bond length	0.008
RMSD bond angle	1.075
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	PHENIX ((1.12_2829: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.842	2.200
High resolution limit [Å]	2.199	2.199
Rmerge	0.167	0.512
Number of reflections	39934
<I/σ(I)>	14.73
Completeness [%]	90.7
Redundancy	5.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291	ammonium acetate, HEPES, 31% PEG 3350