1MZA

crystal structure of human pro-granzyme K

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2001-01-12
Detector	MARRESEARCH
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	31.465, 78.158, 83.629
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	22.000 - 2.230
R-factor	0.2407
Rwork	0.235
R-free	0.28450 *
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	granzyme B
RMSD bond length	0.007
RMSD bond angle	1.435 *
Data reduction software	MOSFLM
Data scaling software	CCP4
Phasing software	AMoRE
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.310
High resolution limit [Å]	2.230 *	2.230
Rmerge	0.125
Total number of observations	65669 *
Number of reflections	23808
Completeness [%]	97.1 *	95.1 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.4	291	1.6M sodium formate, 2.5mM 2-[N-morpholino]ethane-sulfonic acid, 50mM sodium chloride, pH 8.4, VAPOR DIFFUSION, SITTING DROP, temperature 291K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	10 (mg/ml)
2	1	reservoir	sodium formate	3.2 (M)	pH8.4