5EJ2

Crystal structure of Carveol dehydrogenase from Mycobacterium avium in complex with NAD

Replaces:  3UWR

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.1
Synchrotron site	ALS
Beamline	5.0.1
Temperature [K]	100
Detector technology	CCD
Collection date	2011-10-16
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9774
Spacegroup name	P 2 2 21
Unit cell lengths	60.820, 132.210, 155.050
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.136 - 2.150
R-factor	0.1492
Rwork	0.148
R-free	0.19000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3uve
RMSD bond length	0.006
RMSD bond angle	0.834
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (dev_2210)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.210
High resolution limit [Å]	2.150	9.620	2.150
Rmerge	0.110	0.020	0.536
Rmeas	0.121	0.022	0.587
Total number of observations	395887
Number of reflections	68679	855	5035
<I/σ(I)>	15.17	54.66	3.21
Completeness [%]	99.6	94.3	99.9
Redundancy	5.76		5.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	290	JCSG+ A11 optimized: 50% MPD, 200mM Ammonium phosphate, 100mM Tris pH 8.5; MyavA.01326.q.A1.PS00712 at 26.9mg/ml; cryo: 15% EG; tray: 220331a8; puck dzb3-1