5YVR

Crystal Structure of the H277A mutant of ADH/D1, an archaeal halo-thermophilic Red Sea brine pool alcohol dehydrogenase

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 PILATUS3 6M
Wavelength(s)	0.97857
Spacegroup name	C 2 2 21
Unit cell lengths	58.050, 104.800, 129.540
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	33.324 - 1.896
R-factor	0.1807
Rwork	0.179
R-free	0.21280
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5yvm
RMSD bond length	0.016
RMSD bond angle	1.280
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]	48.600	1.950
High resolution limit [Å]	1.896	1.900
Rmerge	0.053	2.225
Rmeas	0.062	2.597
Rpim	0.031	1.319
Number of reflections	31652	2206
<I/σ(I)>	14.9	0.8
Completeness [%]	99.6	94.2
Redundancy	7.4	7
CC(1/2)	0.999	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