5D8M

Crystal structure of the metagenomic carboxyl esterase MGS0156

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2014-11-10
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9794
Spacegroup name	I 2 2 2
Unit cell lengths	59.764, 95.907, 135.604
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.060 - 1.950
R-factor	0.1532
Rwork	0.151
R-free	0.18980
Structure solution method	SAD
RMSD bond length	0.010
RMSD bond angle	1.160
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	SHELX
Refinement software	PHENIX (dev_1888)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	36.060	1.980
High resolution limit [Å]	1.950	1.950
Rmerge	0.050
Number of reflections	27606
<I/σ(I)>	20
Completeness [%]	95.7
Redundancy	4.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.6	292	0.1M Sodium Citrate ph5.6, 0.2M Ammonium Acetate, 30%PEG4K