3JV7

Structure of ADH-A from Rhodococcus ruber

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06DA
Synchrotron site	SLS
Beamline	X06DA
Temperature [K]	100
Detector technology	CCD
Collection date	2009-07-15
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	1.08150
Spacegroup name	P 1 21 1
Unit cell lengths	65.822, 106.119, 109.097
Unit cell angles	90.00, 91.26, 90.00

Refinement procedure

Resolution	38.453 - 2.000
R-factor	0.162
Rwork	0.159
R-free	0.20600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2eer 1jvb 2h6e 1rjw 2HCY
RMSD bond length	0.016
RMSD bond angle	1.095
Data reduction software	XDS
Data scaling software	XDS
Phasing software	BALBES
Refinement software	PHENIX

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000	2.170
High resolution limit [Å]	2.000	2.000
Number of reflections	99524	21640
<I/σ(I)>	11.87	3.6
Completeness [%]	98.4	98.9
Redundancy	3.7	3.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		5.5	298	0.1M AMMONIUM ACETATE, 0.1M BIS-TRIS, 17% PEG-10000, pH5.5, batch crystallization, temperature 298K