7XPM

Ancestral ADH WT

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SEALED TUBE
Source details	BRUKER D8 QUEST
Temperature [K]	150
Detector technology	PIXEL
Collection date	2021-12-16
Detector	Bruker PHOTON II
Wavelength(s)	1.54178
Spacegroup name	C 1 2 1
Unit cell lengths	113.725, 51.792, 74.220
Unit cell angles	90.00, 128.35, 90.00

Refinement procedure

Resolution	22.300 - 2.350
R-factor	0.2204
Rwork	0.218
R-free	0.26030
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5zed
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	22.360	2.440
High resolution limit [Å]	2.350	2.350
Rmerge	0.117	0.401
Number of reflections	14409	1500
<I/σ(I)>	7.1
Completeness [%]	99.9
Redundancy	3.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.4	289.2	PEG 2000, TRIS hydrochloride