1CBW

BOVINE CHYMOTRYPSIN COMPLEXED TO BPTI

Experimental procedure

Source type	ROTATING ANODE
Source details	RIGAKU RUH2R
Temperature [K]	295
Detector technology	DIFFRACTOMETER
Collection date	1992-01
Detector	ENRAF-NONIUS FAST
Spacegroup name	P 61
Unit cell lengths	101.600, 101.600, 205.900
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	10.000 - 2.600
R-factor	0.192
Rwork	0.192
R-free	0.25100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	PDB ENTTY 5CHA + 2PTC
RMSD bond length	0.015
RMSD bond angle	26.470 *
Data reduction software	PROCOR
Data scaling software	PROCOR
Phasing software	X-PLOR (3.1)
Refinement software	X-PLOR (3.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.600
High resolution limit [Å]	2.500	2.500
Rmerge	0.087	0.120
Number of reflections	32244
<I/σ(I)>	10	1.5
Completeness [%]	89.0	55
Redundancy	3	1.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, sitting drop *	7.5		pH 7.5

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	complex	20 (mg/ml)
2	1	drop	MPD	0.5 (%(v/v))
3	1	drop	ammonium sulfate	50 (%(v/v))
4	1	drop	Tris-HCl	80 (mM)
5	1	reservoir	ammonium sulfate	50 (%(v/v))
6	1	reservoir	Tris-HCl	80 (mM)