5YVM

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

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06SA
Synchrotron site	SLS
Beamline	X06SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-05-02
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97856
Spacegroup name	C 2 2 21
Unit cell lengths	57.190, 103.720, 128.510
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.092 - 2.120
R-factor	0.174
Rwork	0.172
R-free	0.22250
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3bfj
RMSD bond length	0.010
RMSD bond angle	1.048
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	MoRDa
Refinement software	PHENIX (1.10.1_2155)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.092	2.200
High resolution limit [Å]	2.120	2.120
Rmerge	0.095	0.520
Rmeas	0.068
Number of reflections	21120	2104
<I/σ(I)>	11.96	2.27
Completeness [%]	96.0	97
Redundancy	3.6	3.7
CC(1/2)	0.998	0.840

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