7DLD

Crystal structures of (S)-carbonyl reductases from Candida parapsilosis in different oligomerization states

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-E
Synchrotron site	APS
Beamline	24-ID-E
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-04-06
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9792
Spacegroup name	C 2 2 21
Unit cell lengths	69.262, 114.380, 126.371
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.220 - 1.750
R-factor	0.192
Rwork	0.188
R-free	0.22900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3ctm
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	43.220	1.810
High resolution limit [Å]	1.750	1.750
Number of reflections	50791	4991
<I/σ(I)>	16.7
Completeness [%]	99.7
Redundancy	13.2
CC(1/2)	0.999	0.844

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICROBATCH	6.3	293.15	200 mM Ammonium Chloride, 20% PEG 3350, pH 6.3