1CA0

BOVINE CHYMOTRYPSIN COMPLEXED TO APPI

Experimental procedure

Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL7-1
Synchrotron site	SSRL
Beamline	BL7-1
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	1994-05
Detector	MARRESEARCH
Spacegroup name	P 21 21 2
Unit cell lengths	70.522, 181.488, 46.328
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	8.000 - 2.100
R-factor	0.215
Rwork	0.215
R-free	0.32300
RMSD bond length	0.007
RMSD bond angle	26.210 *
Data reduction software	XDS
Data scaling software	XDS
Phasing software	X-PLOR (3.1)
Refinement software	X-PLOR (3.1)

Data quality characteristics

	Overall
Low resolution limit [Å]	10.000
High resolution limit [Å]	2.100
Rmerge	0.030 *
Number of reflections	33088
<I/σ(I)>	39.87
Completeness [%]	81.1
Redundancy	3.05

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	4.5	4 *	pH 4.5

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	PEG6000	10-12.5 (%(w/v))
2	1	reservoir	sodium citrate	100 (mM)
3	1	reservoir	dimethylacetamide	5 (%(v/v))