8Q03

Metagenomic lipase ORF30

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-4
Synchrotron site	ESRF
Beamline	ID14-4
Temperature [K]	100
Detector technology	CCD
Collection date	2013-11-24
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97934
Spacegroup name	C 1 2 1
Unit cell lengths	182.376, 45.742, 135.369
Unit cell angles	90.00, 105.63, 90.00

Refinement procedure

Resolution	46.670 - 1.480
R-factor	0.1457
Rwork	0.144
R-free	0.17980
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.714
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	46.670	46.670	1.570
High resolution limit [Å]	1.480	4.420	1.480
Rmerge	0.072	0.041	0.968
Rmeas	0.082	0.048	1.173
Number of reflections	159190	6719	15144
<I/σ(I)>	11.14		1.2
Completeness [%]	88.3
Redundancy	15
CC(1/2)	0.998	0.997	0.571

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291	1.6 M ammonium sulfate, 0.1 M Bicine, pH 9.0