1IC6

STRUCTURE OF A SERINE PROTEASE PROTEINASE K FROM TRITIRACHIUM ALBUM LIMBER AT 0.98 A RESOLUTION

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	EMBL/DESY, HAMBURG BEAMLINE X11
Synchrotron site	EMBL/DESY, HAMBURG
Beamline	X11
Temperature [K]	295
Detector technology	IMAGE PLATE
Collection date	1998-03-20
Detector	MARRESEARCH
Wavelength(s)	0.91
Spacegroup name	P 43 21 2
Unit cell lengths	67.288, 67.288, 106.582
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	10.000 - 0.980
Rwork	0.114
R-free	0.12400
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008 *
RMSD bond angle	1.800 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	10.000	1.000
High resolution limit [Å]	0.980	0.980
Rmerge	0.035	0.195
Number of reflections	1229216
<I/σ(I)>	15	8
Completeness [%]	98.0	95
Redundancy	9.01

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	unknown *	6.5	22 *	CaCl2 & NaNO3, pH 6.5, VAPOR DIFFUSION, temperature 295K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	1	protein	30 (mg/ml)