2PBH

CRYSTAL STRUCTURE OF HUMAN PROCATHEPSIN B AT 3.3 ANGSTROM RESOLUTION

Experimental procedure

Source type	ROTATING ANODE
Source details	RIGAKU RUH2R
Temperature [K]	283
Detector technology	IMAGE PLATE
Collection date	1995-10
Detector	MARRESEARCH
Spacegroup name	P 65 2 2
Unit cell lengths	78.750, 78.750, 153.640
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	10.000 - 3.300
Rwork	0.231
R-free	0.26900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)
RMSD bond length	0.012 *
RMSD bond angle	1.830 *
Data reduction software	MOSFLM
Data scaling software	CCP4
Phasing software	MAIN
Refinement software	MAIN

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	8.000	3.400
High resolution limit [Å]	3.300	3.300
Rmerge	0.186	0.066
Number of reflections	4297
<I/σ(I)>	3.9	2.4
Completeness [%]	94.2	96.7
Redundancy	8.5	4.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, sitting drop *	7.1 *	20 *	PROTEIN WAS CRYSTALLIZED FROM 2 M AMMONIUM SULFATE, 700 MM TRIS, PH 7.2

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	ammonium sulphate	2 (M)
2	1	reservoir	Tris-HCl	700 (mM)