8B9S

NATIVE FORM, THERMOSTABLE LIPASE FROM THERMOANAEROBACTER THERMOHYDROSULFURICUS

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	EMBL/DESY, HAMBURG BEAMLINE BW7A
Synchrotron site	EMBL/DESY, HAMBURG
Beamline	BW7A
Temperature [K]	100
Detector technology	CCD
Collection date	2006-10-15
Detector	MAR CCD 165 mm
Wavelength(s)	0.9763
Spacegroup name	P 32
Unit cell lengths	125.237, 125.237, 101.419
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	19.940 - 2.420
R-factor	0.2182
Rwork	0.217
R-free	0.25470
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7q4h
RMSD bond length	0.007
RMSD bond angle	1.026
Data reduction software	HKL-2000
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.460
High resolution limit [Å]	2.420	2.420
Rmerge	0.091	0.619
Number of reflections	67696	3350
<I/σ(I)>	14.75	2.71
Completeness [%]	99.9
Redundancy	4.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	293	5% PEG 6000 0.1 M Tris-HCL