4AO7

Zinc bound structure of a novel cold-adapted esterase from an Arctic intertidal metagenomic library

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID29
Synchrotron site	ESRF
Beamline	ID29
Temperature [K]	100
Detector technology	CCD
Detector	ADSC CCD
Spacegroup name	P 21 21 2
Unit cell lengths	55.660, 70.030, 53.950
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	25.000 - 1.850
R-factor	0.1786
Rwork	0.176
R-free	0.22752
Structure solution method	SAD
Starting model (for MR)	NONE
RMSD bond length	0.012
RMSD bond angle	1.344
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	SHELXCD
Refinement software	REFMAC (5.5.0102)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	54.000	1.900
High resolution limit [Å]	1.850	1.850
Rmerge	0.050	0.720
Number of reflections	34844
<I/σ(I)>	0	0
Completeness [%]	99.7	96.5
Redundancy	6.5	5.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1