7CYI

Crystal structure of Alcohol dehydrogenase 1 from Artemisia annua

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-01-16
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97891
Spacegroup name	P 1
Unit cell lengths	77.533, 78.490, 102.441
Unit cell angles	71.88, 74.02, 59.97

Refinement procedure

Resolution	38.960 - 2.950
R-factor	0.2341
Rwork	0.232
R-free	0.27450
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6ljh
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHENIX (1.13_2998)
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	3.060
High resolution limit [Å]	2.950	6.350	2.950
Rmerge	0.118	0.064	0.659
Rmeas	0.140	0.076	0.782
Rpim	0.075	0.040	0.415
Total number of observations	138337
Number of reflections	41150	4198	4105
<I/σ(I)>	5.8
Completeness [%]	97.0	98.8	96.5
Redundancy	3.4	3.5	3.3
CC(1/2)		0.988	0.769

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	EVAPORATION		289.15	PEG 8000, Bis-Tris