6UHX

Crystal structure of YIR035C short chain dehydrogenases/reductase from Saccharomyces cerevisiae

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	298
Detector technology	IMAGE PLATE
Collection date	2018-12-14
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.5418
Spacegroup name	P 1 21 1
Unit cell lengths	51.545, 73.049, 67.800
Unit cell angles	90.00, 100.14, 90.00

Refinement procedure

Resolution	29.640 - 2.750
R-factor	0.239
Rwork	0.235
R-free	0.31510
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3kzv
RMSD bond length	0.003
RMSD bond angle	0.691
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHENIX
Refinement software	PHENIX (1.15_3448)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.800
High resolution limit [Å]	2.750	2.750
Rmerge	0.195	0.731
Rpim	0.103	0.406
Number of reflections	12870	597
<I/σ(I)>	6.7	1.3
Completeness [%]	98.9	90.6
Redundancy	4.4
CC(1/2)		0.667

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6	298	0.1 M Bis-tris buffer, 5% iso-propanol, 2.4 M ammonium sulfate, 1/1600 chymotrypsin, 10 mM NADPH