3A1I

Crystal structure of Rhodococcus sp. N-771 Amidase complexed with Benzamide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL38B1
Synchrotron site	SPring-8
Beamline	BL38B1
Temperature [K]	100
Detector technology	CCD
Collection date	2007-12-13
Detector	MARMOSAIC 225 mm CCD
Spacegroup name	P 41 21 2
Unit cell lengths	92.272, 92.272, 161.799
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 2.320
Rwork	0.199
R-free	0.23300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2g3i
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall
Low resolution limit [Å]	50.000
High resolution limit [Å]	2.170
Number of reflections	30854
Completeness [%]	99.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	293	15% polyethylene glycol 4000, 100mM magnesium chloride, 100mM calcium chloride, 100mM Mes, pH6.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K