1PJP

THE 2.2 A CRYSTAL STRUCTURE OF HUMAN CHYMASE IN COMPLEX WITH SUCCINYL-ALA-ALA-PRO-PHE-CHLOROMETHYLKETONE

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	301
Detector technology	IMAGE PLATE
Detector	MARRESEARCH
Spacegroup name	P 43
Unit cell lengths	74.370, 74.370, 50.090
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	8.000 - 2.200
R-factor	0.184
Rwork	0.184
R-free	0.23700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3rp2
RMSD bond length	0.008
RMSD bond angle	24.810 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	X-PLOR (3.851)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.260
High resolution limit [Å]	2.200	2.200
Rmerge	0.076	0.254
Total number of observations	138168 *
Number of reflections	14122
Completeness [%]	96.4	98.8
Redundancy	9.78

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	6.8 *	22 *	pH 7.5

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	MOPS	10 (mM)	pH6.8
2	1	drop		50 (mM)
3	1	drop	protein	7.6 (mg/ml)
4	1	reservoir	HEPES	100 (mM)	pH7.5
5	1	reservoir	PEG10000	20 (%(v/v))