2C7B

The Crystal Structure of EstE1, a New Thermophilic and Thermostable Carboxylesterase Cloned from a Metagenomic Library

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 6B
Synchrotron site	PAL/PLS
Beamline	6B
Temperature [K]	100
Detector technology	CCD
Collection date	2005-07-19
Detector	BRUKER AXS
Spacegroup name	P 41 21 2
Unit cell lengths	73.710, 73.710, 234.230
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 2.300
R-factor	0.2338
Rwork	0.234
R-free	0.26130
Structure solution method	SAD
RMSD bond length	0.007
RMSD bond angle	1.700
Data reduction software	MOSFLM
Data scaling software	SCALEPACK
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.600
High resolution limit [Å]	2.300	2.300
Rmerge	0.120
Number of reflections	29848
<I/σ(I)>	10.6	4.1
Completeness [%]	99.8
Redundancy	2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		7.5		0.1M BIS-TRIS PH6.5, 0.2M AMMONIUM SULFATE, 35%(W/V) PEG 3350, pH 7.50