3L77

X-ray structure alcohol dehydrogenase from archaeon Thermococcus sibiricus complexed with 5-hydroxy-NADP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	EMBL/DESY, HAMBURG BEAMLINE X11
Synchrotron site	EMBL/DESY, HAMBURG
Beamline	X11
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2009-05-27
Detector	MAR555 FLAT PANEL
Spacegroup name	I 2 2 2
Unit cell lengths	55.620, 83.230, 120.750
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.670 - 1.550
R-factor	0.134
Rwork	0.133
R-free	0.18000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	PDB CODE 2JAP
RMSD bond length	0.006
RMSD bond angle	1.186
Refinement software	PHENIX (1.6_289)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	1.600
High resolution limit [Å]	1.550	1.550
Rmerge	0.102	0.775
Number of reflections	35365
<I/σ(I)>	18.45	2.27
Completeness [%]	87.3	78.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		7.5	293	The reservoir solutions consisted of 0.1M Hepes pH 7.5, 0.2M sodium chloride, 25% w/v PEG 3350. The crystallization drop contained 2 μl of TsAdh319 solution (10 mg/ml) in 25 мМ Tris-HCl and 300 мМ NaCl, рН 7.5, and 2 μl reservoir solution. Crystals of dimensions 0.4 x 0.1 x 0.06 mm were obtained after 3-4 weeks. VAPOR DIFFUSION, HANGING DROP, temperature 293K