6LJH

Crystal structure of Alcohol dehydrogenase 1 from Artemisia annua in complex with NAD+

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL18U1
Synchrotron site	SSRF
Beamline	BL18U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-10-25
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9793
Spacegroup name	C 1 2 1
Unit cell lengths	94.446, 54.153, 90.374
Unit cell angles	90.00, 101.28, 90.00

Refinement procedure

Resolution	24.540 - 1.800
R-factor	0.153
Rwork	0.152
R-free	0.17980
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4dl9
RMSD bond length	0.007
RMSD bond angle	0.948
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	Outer shell
Low resolution limit [Å]	50.000	1.860
High resolution limit [Å]	1.800	1.800
Rmerge	0.076	0.395
Rmeas	0.083	0.432
Rpim	0.033	0.174
Number of reflections	41073	4111
<I/σ(I)>	22.6	5.4
Completeness [%]	99.9	99.9
Redundancy	6.3	6.1
CC(1/2)	0.996	0.931

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	EVAPORATION		289.15	PEG 10000, MES