1CJL

CRYSTAL STRUCTURE OF A CYSTEINE PROTEASE PROFORM

Experimental procedure

Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-6A
Synchrotron site	Photon Factory
Beamline	BL-6A
Temperature [K]	298
Detector technology	DIFFRACTOMETER
Collection date	1995-03-14
Detector	WEISSENBERG
Spacegroup name	P 21 21 21
Unit cell lengths	40.080, 88.090, 94.930
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	8.000 - 2.200
R-factor	0.182
Rwork	0.182
R-free	0.24100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	ACTINIDIN (PDB ENTRY 1AEC)
RMSD bond length	0.007
RMSD bond angle	1.179
Data reduction software	CCP4
Data scaling software	CCP4
Phasing software	X-PLOR (3.1)
Refinement software	X-PLOR (3.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.790	2.310
High resolution limit [Å]	2.200	2.200
Rmerge	0.069	0.187
Number of reflections	13872
<I/σ(I)>	8.2	4
Completeness [%]	77.9	51.3
Redundancy	3.3	2.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion *	7.8	18 *	1.4M (NA,K)PO4, PH 7.8

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	2.5-3 (mg/ml)
2	1	reservoir	phosphate	1.3-1.4 (M)