5MLN

The crystal structure of alcohol dehydrogenase 10 from Candida magnoliae

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-2
Synchrotron site	ESRF
Beamline	ID23-2
Temperature [K]	100
Detector technology	CCD
Collection date	2016-09-06
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.872899
Spacegroup name	P 21 2 21
Unit cell lengths	74.178, 80.425, 80.520
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.300 - 1.600
R-factor	0.14729
Rwork	0.146
R-free	0.17963
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3v2g
RMSD bond length	0.025
RMSD bond angle	2.292
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.300	1.650
High resolution limit [Å]	1.600	1.600
Rmerge	0.058	0.779
Number of reflections	65173
<I/σ(I)>	20.5	2.6
Completeness [%]	100.0	99
Redundancy	8.1	8.2
CC(1/2)	1.000	0.767

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	293	100mM MES pH 6.5, 40% PEG 200. Soaked 20mM 4R-hydroxyisophorone