1CZI

CHYMOSIN COMPLEX WITH THE INHIBITOR CP-113972

Experimental procedure

Source type	SYNCHROTRON
Source details	SRS BEAMLINE PX9.6
Synchrotron site	SRS
Beamline	PX9.6
Temperature [K]	300
Detector technology	IMAGE PLATE
Collection date	1993-07
Detector	MARRESEARCH
Spacegroup name	H 3 2
Unit cell lengths	132.780, 132.780, 81.950
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	9.970 - 2.300
Rwork	0.195
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4CMS WITHOUT LOOP 71 - 81
Data reduction software	MOSFLM
Data scaling software	CCP4 (V 2.X (AGROVATA)
Phasing software	AMoRE
Refinement software	RESTRAIN

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	21.100	2.360
High resolution limit [Å]	2.300	2.300
Rmerge	0.095 *	0.361
Total number of observations	62777 *
Number of reflections	12125 *
<I/σ(I)>	5.2	1.7
Completeness [%]	97.6 *	97.3
Redundancy	3	3.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	6 *		pH 7.0

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	10 (mg/ml)
2	1	reservoir	sodium phosphate	50 (mM)
3	1	reservoir		1.5 (M)