1PBH

CRYSTAL STRUCTURE OF HUMAN RECOMBINANT PROCATHEPSIN B AT 3.2 ANGSTROM RESOLUTION

Experimental procedure

Temperature [K]	283
Detector technology	IMAGE PLATE
Collection date	1995-10
Detector	MARRESEARCH
Spacegroup name	P 21 21 21
Unit cell lengths	44.950, 77.100, 97.330
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	10.000 - 3.200
Rwork	0.216
R-free	0.25200
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1huc
RMSD bond length	0.011 *
RMSD bond angle	1.770 *
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	3.300
High resolution limit [Å]	3.200	3.200
Rmerge	0.166	0.117
Number of reflections	5151
<I/σ(I)>	3.3	2.4
Completeness [%]	88.5	94.1
Redundancy	5	4.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, sitting drop *	7.3	20 *	PROTEIN WAS CRYSTALLIZED FROM 30% PEG 6000, 0.2 M AMMONIUM SULFATE, 0.1 M HEPES, PH 7.3

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	PEG6000	30 (%)
2	1	reservoir	ammonium sulfate	0.2 (M)
3	1	reservoir	HEPES/NaOH	0.1 (M)