1DT3

THE STRUCTURAL ORIGINS OF INTERFACIAL ACTIVATION IN THERMOMYCES (HUMICOLA) LANUGINOSA LIPASE

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	110
Detector technology	IMAGE PLATE
Collection date	1999-03-06
Detector	MARRESEARCH
Spacegroup name	P 61
Unit cell lengths	139.920, 139.920, 80.680
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	20.000 - 2.600
R-factor	0.228
Rwork	0.228
R-free	0.37200 *
RMSD bond length	0.007 *
RMSD bond angle	0.025 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	24.500 *	20.000
High resolution limit [Å]	2.500 *	2.500 *
Rmerge	0.052	0.155 *
Number of reflections	31111 *
<I/σ(I)>	26
Completeness [%]	98.8 *	95.3 *
Redundancy	4.7 *	4.0 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	unknown *	8.1	279	PEG 5000, magnesium chloride, , pH 8.1, VAPOR DIFFUSION, HANGING DROP, temperature 6K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	5 (mg/ml)
2	1	drop	Tris-HCl	10 (mM)
3	1	reservoir	Tris-HCl	0.1 (M)
4	1	reservoir	ammonium sulfate	50 (%sat)