5D6O

Orthorhombic Crystal Structure of an acetylester hydrolase from Corynebacterium glutamicum

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.1
Synchrotron site	BESSY
Beamline	14.1
Temperature [K]	100
Detector technology	CCD
Collection date	2008-07-26
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.91841
Spacegroup name	P 21 21 21
Unit cell lengths	44.141, 89.612, 322.788
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.925 - 1.800
R-factor	0.1754
Rwork	0.175
R-free	0.21030
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	trigonal structure of the same protein
RMSD bond length	0.003
RMSD bond angle	0.719
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHENIX
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	19.930	1.864
High resolution limit [Å]	1.800	1.800
Number of reflections	120186
<I/σ(I)>	12.73	2.28
Completeness [%]	100.0	100
Redundancy	13.1	13.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	293	Reservoir: 24 %(w/v) PEG4000, 20 %(v/v) glycerol, 0.16 M magnesium chloride, 80 mM Tris/HCl, pH 8.5. Drop before equilibration: 0.4 mikroliter reservoir solution plut 0.8 mikroliter enzyme solution (protein concentration: 5 mg/ml)