4AO8

PEG-bound complex 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 QUANTUM 315r
Spacegroup name	P 21 21 2
Unit cell lengths	55.970, 69.719, 53.982
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	25.000 - 1.610
R-factor	0.17955
Rwork	0.178
R-free	0.21164
Structure solution method	OTHER
Starting model (for MR)	NONE
RMSD bond length	0.016
RMSD bond angle	1.560
Refinement software	REFMAC (5.5.0102)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	55.000	1.700
High resolution limit [Å]	1.610	1.610
Rmerge	0.050	0.380
Number of reflections	27769
<I/σ(I)>	0
Completeness [%]	99.2	99.3
Redundancy	4.3	4.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1