1DLK

CRYSTAL STRUCTURE ANALYSIS OF DELTA-CHYMOTRYPSIN BOUND TO A PEPTIDYL CHLOROMETHYL KETONE INHIBITOR

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]	293
Detector technology	IMAGE PLATE
Collection date	1996-10-20
Detector	MARRESEARCH
Spacegroup name	P 41 21 2
Unit cell lengths	121.170, 121.170, 116.080
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.000 * - 2.140
R-factor	0.212 *
Rwork	0.207
R-free	0.25100 *
RMSD bond length	0.018
RMSD bond angle	2.000
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000	2.180
High resolution limit [Å]	2.140	2.140
Rmerge	0.081	0.435 *
Total number of observations	308959 *
Number of reflections	48065 *
<I/σ(I)>	22.6
Completeness [%]	99.6 *	100
Redundancy	6.6	5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	298	2.6 M ammonium sulfate, 200 mM MES-HCl, 10 mM CoCl2, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	30 (mg/ml)
2	1	reservoir	ammonium sulfate	2.6 (M)
3	1	reservoir		10 (mM)
4	1	reservoir	MES-HCl	200 (mM)