1KLT

CRYSTAL STRUCTURE OF PMSF-TREATED HUMAN CHYMASE AT 1.9 ANGSTROMS RESOLUTION

Experimental procedure

Source type	ROTATING ANODE
Source details	RIGAKU RUH2R
Temperature [K]	295
Detector technology	IMAGE PLATE
Collection date	1996-12
Detector	RIGAKU
Spacegroup name	P 21 21 21
Unit cell lengths	43.930, 58.160, 86.090
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	6.000 - 1.900
R-factor	0.183
Rwork	0.183
R-free	0.25500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	HOMOLOGY MODEL
RMSD bond length	0.016
RMSD bond angle	25.200 *
Data reduction software	bioteX ((MSC))
Data scaling software	bioteX
Phasing software	X-PLOR (3.1)
Refinement software	X-PLOR (3.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.100	2.100
High resolution limit [Å]	1.900	1.900
Rmerge	0.077	0.344
Total number of observations	31632 *
Number of reflections	14518
<I/σ(I)>	11	1.3
Completeness [%]	80.4	50.4
Redundancy	2.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	5.6		COMPLEX WAS CRYSTALLIZED FROM 20% PEG 2000, 20% ISOPROPANOL, 0.1M SODIUM CITRATE, PH 5.6.

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	5 (mg/ml)
2	1	reservoir	PEG4000	20 (%)
3	1	reservoir	2-propanol	20 (%)
4	1	reservoir	sodium citrate	0.1 (M)