1DTE

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	1998-06-01
Detector	MARRESEARCH
Spacegroup name	P 21 21 2
Unit cell lengths	96.127, 71.096, 82.830
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 2.400 *
Rwork	0.263
R-free	0.31500 *
RMSD bond length	0.009 *
RMSD bond angle	0.030 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.390
High resolution limit [Å]	2.400 *	2.400 *
Rmerge	0.062 *	0.424 *
Number of reflections	91415 *
<I/σ(I)>	5
Completeness [%]	98.4 *	98.6 *
Redundancy	2.75 *	2.75 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	unknown *	8.1		PEG 5000, magnesium chloride, c8e5, pH 8.1, VAPOR DIFFUSION, HANGING DROP, temperature 110K

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		25 (mM)
5	1	reservoir	mPEG5000	17 (%(w/v))