8PZG

Metagenomic lipase ORF17

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	P 21 21 21
Unit cell lengths	43.980, 74.950, 159.440
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.510 - 1.400
R-factor	0.1653
Rwork	0.163
R-free	0.20590
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	0.717
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]	38.510	38.510	1.480
High resolution limit [Å]	1.400	4.160	1.400
Rmerge	0.073	0.044	0.683
Rmeas	0.083	0.052	0.792
Number of reflections	98409	2360	15820
<I/σ(I)>	10.96
Completeness [%]	89.9
Redundancy	4.04
CC(1/2)	0.997	0.994	0.571

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291	28% PEG6000. 0.1 M Hepes, pH 7.0