3PBH

REFINED CRYSTAL STRUCTURE OF HUMAN PROCATHEPSIN B AT 2.5 ANGSTROM RESOLUTION

Experimental procedure

Source type	ROTATING ANODE
Source details	RIGAKU RUH2R
Temperature [K]	285
Detector technology	IMAGE PLATE
Collection date	1996-06
Detector	MARRESEARCH
Spacegroup name	P 65 2 2
Unit cell lengths	77.550, 77.550, 153.160
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	10.000 - 2.500
R-factor	0.179 *
Rwork	0.179
R-free	0.23420 *
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)
RMSD bond length	0.012 *
RMSD bond angle	1.640 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	MAIN
Refinement software	MAIN

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	100.000 *	2.600
High resolution limit [Å]	2.500	2.500
Rmerge	0.129	0.400 *
Total number of observations	54009 *
Number of reflections	9306
Completeness [%]	92.1	90.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	8 *	22 *	PROTEIN WAS CRYSTALLIZED FROM 2 M AMMONIUM SULFATE, PH 5.72

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	Tris-HCl	20 (mM)
2	1	drop	protein	10 (mg/ml)
3	1	reservoir	ammonium sulfate	2 (M)