9CQK

Horse liver alcohol dehydrogenase F93W in complex with NADH and N-cylcohexyl formamide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL12-1
Synchrotron site	SSRL
Beamline	BL12-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-04-21
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.979
Spacegroup name	P 1
Unit cell lengths	42.573, 45.448, 92.145
Unit cell angles	75.85, 78.69, 77.26

Refinement procedure

Resolution	36.030 - 1.650
R-factor	0.197
Rwork	0.196
R-free	0.20860
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.029
RMSD bond angle	1.847
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.19.2_4158: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	36.030	1.680
High resolution limit [Å]	1.650	1.650
Rmerge	0.127	1.060
Rmeas	0.148	1.246
Rpim	0.076	0.650
Total number of observations	261386	11579
Number of reflections	69665	3318
<I/σ(I)>	7	1.3
Completeness [%]	89.4
Redundancy	3.8	3.5
CC(1/2)	0.985	0.553

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	277	PEG 400, Tris Buffer