5MSC

Structure of the A domain of carboxylic acid reductase (CAR) from Nocardia iowensis in complex with AMP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	PIXEL
Collection date	2014-11-29
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.976
Spacegroup name	P 1
Unit cell lengths	52.080, 54.250, 66.240
Unit cell angles	93.51, 98.82, 101.78

Refinement procedure

Resolution	43.520 - 1.850
R-factor	0.2149
Rwork	0.213
R-free	0.25510
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	D_120002932
RMSD bond length	0.009
RMSD bond angle	1.281
Data reduction software	XDS
Data scaling software	XDS
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall
Low resolution limit [Å]	43.520
High resolution limit [Å]	1.850
Number of reflections	59592
<I/σ(I)>	12.1
Completeness [%]	96.4
Redundancy	3.4
CC(1/2)	1.000

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	Crystals of A domain CARni (30mg/ml) were obtained using the sitting-drop vapour-diffusion and grew within 7 days at 4 degrees in 0.12 M ethylene glycols 0.1 M Tris-Bicine pH 8.5 30% glycerol/PEG 4K