7YMU

Structure of Alcohol dehydrogenase from [Candida] glabrata

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 18-ID
Synchrotron site	APS
Beamline	18-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2021-01-01
Detector	AGILENT ATLAS CCD
Wavelength(s)	0.987
Spacegroup name	C 1 2 1
Unit cell lengths	69.570, 102.750, 179.690
Unit cell angles	90.00, 95.64, 90.00

Refinement procedure

Resolution	44.710 - 1.900
R-factor	0.1899
Rwork	0.188
R-free	0.23620
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5b6k
Data reduction software	HKL-3000
Data scaling software	Aimless (0.7.4)
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	46.620	46.620	1.930
High resolution limit [Å]	1.900	10.410	1.900
Rmerge	0.080	0.053	0.714
Rmeas	0.087	0.058	0.792
Rpim	0.033	0.023	0.333
Total number of observations	655074	3848	22491
Number of reflections	97729	619	4165
<I/σ(I)>	13.4	31.8	2.1
Completeness [%]	98.8	97.5	84.6
Redundancy	6.7	6.2	5.4
CC(1/2)	0.998	0.996	0.798

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		289.15	1.2M Ammonium citrate tribasic, 8% PEG 2000, pH 7.3