5AH0

STRUCTURE OF LIPASE 1 FROM PELOSINUS FERMENTANS

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-2
Synchrotron site	ESRF
Beamline	ID23-2
Temperature [K]	100
Detector technology	CCD
Collection date	2014-03-10
Detector	MARMOSAIC 225 mm CCD
Spacegroup name	P 41 21 2
Unit cell lengths	91.800, 91.800, 215.900
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.202 - 2.500
R-factor	0.196
Rwork	0.194
R-free	0.24280
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ku0
RMSD bond length	0.006
RMSD bond angle	0.995
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX ((PHENIX.REFINE))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	60.000	2.640
High resolution limit [Å]	2.490	2.490
Rmerge	0.100	0.740
Number of reflections	33116
<I/σ(I)>	17.1	3.5
Completeness [%]	99.3	96.3
Redundancy	12.7	12.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1				0.8 M POTASSIUM SODIUM TARTRATE TETRAHYDRATE, 0.1 M TRIS, PH 8.5 AND 0.5 % W/V POLYETHYLENE GLYCOL MONOMETHYL ETHER 5000