7Q4J

A thermostable lipase from Thermoanaerobacter thermohydrosulfuricus in complex a monoacylglycerol intermediate

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE BM14
Synchrotron site	ESRF
Beamline	BM14
Temperature [K]	100
Detector technology	CCD
Collection date	2009-09-07
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.97873, 0.97903
Spacegroup name	P 43 21 2
Unit cell lengths	137.526, 137.526, 67.781
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.750 - 1.910
R-factor	0.164
Rwork	0.163
R-free	0.19390
Structure solution method	MAD
RMSD bond length	0.004
RMSD bond angle	0.833
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	SHELXD
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	1.940
High resolution limit [Å]	1.910	1.910
Rmerge	0.051	0.642
Number of reflections	49383	2071
<I/σ(I)>	21.4	2.03
Completeness [%]	97.1	82.2
Redundancy	3.3
CC(1/2)	0.990	0.990

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293	2.4 M ammonium sulfate, 0.1 M TRIS