5YVS

Crystal Structure of the archaeal halo-thermophilic Red Sea brine pool alcohol dehydrogenase ADH/D1 bound to NADP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 1
Synchrotron site	SOLEIL
Beamline	PROXIMA 1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-09-22
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97857
Spacegroup name	C 2 2 21
Unit cell lengths	57.920, 104.840, 129.360
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.583 - 2.345
R-factor	0.218
Rwork	0.216
R-free	0.25030
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.542
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	PHENIX (1.11.1_2575)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.583	2.410
High resolution limit [Å]	2.345	2.350
Rmerge		1.910
Rmeas		2.220
Rpim		1.190
Number of reflections	16847	1176
<I/σ(I)>	8.8	0.8
Completeness [%]	99.5	94.1
Redundancy	7.2	7.1
CC(1/2)		0.521

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	298	150mM Mg Acetate, 27% methyl-pentane-diol, 100mM Na cacodylate, pH 6.5