1KTH

The Anisotropic Refinement Of Kunitz Type Domain C5 at 0.95 Angstrom

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]	110
Detector technology	IMAGE PLATE
Collection date	1998-10-20
Detector	MARRESEARCH
Wavelength(s)	0.900
Spacegroup name	P 1 21 1
Unit cell lengths	25.270, 37.800, 28.510
Unit cell angles	90.00, 109.42, 90.00

Refinement procedure

Resolution	8.000 * - 0.950
R-factor	0.121 *
Rwork	0.135
R-free	0.16200 *
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	2knt
RMSD bond length	0.016
RMSD bond angle	0.032
Data reduction software	MOSFLM
Data scaling software	SCALA
Refinement software	SHELXL-97

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	8.000	0.970
High resolution limit [Å]	0.950	0.950
Rmerge	0.041 *	0.340 *
Total number of observations	179075 *
Number of reflections	33572 *
Completeness [%]	95.2 *	85.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, sitting drop *	3 *	4 *	Arnoux, B., (1995) J. Mol. Biol., 246, 609. *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	5 (mg/ml)
2	1	reservoir		0.2 (M)
3	1	reservoir	citric acid	0.1 (M)
4	1	reservoir		0.074 (M)
5	1	reservoir	ammonium sulfate	1.45 (M)