3UVE

Crystal structure of Carveol dehydrogenase ((+)-trans-carveol dehydrogenase) from Mycobacterium avium

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-G
Synchrotron site	APS
Beamline	21-ID-G
Temperature [K]	100
Detector technology	CCD
Collection date	2011-10-28
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.978560
Spacegroup name	P 1 21 1
Unit cell lengths	97.610, 59.440, 108.650
Unit cell angles	90.00, 90.10, 90.00

Refinement procedure

Resolution	50.000 - 1.550
R-factor	0.146
Rwork	0.146
R-free	0.16000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3t7c
RMSD bond length	0.014
RMSD bond angle	1.534
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	REFMAC (5.6.0117)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000		1.590
High resolution limit [Å]	1.550	6.930	1.550
Rmerge	0.061	0.021	0.468
Number of reflections	161312	1604	12423
<I/σ(I)>	12.79	38.7	2.4
Completeness [%]	89.3	74.3	93.6
Redundancy	2.72		2.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.62	290	EBS internal tracking number 224967H10. From a focus screen based on JCSG C6. Reservoir: 42.5% PEG 300, 0.1 M phosphate-citrate, MyavA.01326.d.A1 PS00817 at 48 mg/mL, pH 4.62, VAPOR DIFFUSION, SITTING DROP, temperature 290K