1NUD

Role of Calcium Ions in the Activation and Activity of the Transglutaminase 3 Enzyme (3 calciums, active form)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2000-06-07
Detector	RIGAKU RAXIS IIC
Wavelength(s)	1.5418
Spacegroup name	P 1 21 1
Unit cell lengths	57.540, 115.370, 121.390
Unit cell angles	90.00, 92.66, 90.00

Refinement procedure

Resolution	20.000 - 2.700
Rwork	0.199
R-free	0.26500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1l9n
RMSD bond length	0.006
RMSD bond angle	1.300
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.870
High resolution limit [Å]	2.700	2.700
Total number of observations	409995 *
Number of reflections	41052
<I/σ(I)>	8.9
Completeness [%]	93.7	88.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8 *	21 *	4% (w/v) Peg 20K, 100 mM Tris-HCl (pH 8.5) , VAPOR DIFFUSION, HANGING DROP, temperature 288K
1	VAPOR DIFFUSION, HANGING DROP	8 *	21 *	4% (w/v) Peg 20K, 100 mM Tris-HCl (pH 8.5) , VAPOR DIFFUSION, HANGING DROP, temperature 288K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	beta-octylglucoside	0.1 (mM)
3	1	drop	Tris-HCl	20 (mM)	pH8.0
4	1	drop	EDTA	1 (mM)
5	1	drop		125 (mg/ml)
6	1	drop	protein	17 (mg/ml)
7	1	reservoir	PEG20000	4 (%(w/v))
8	1	reservoir	Tris-HCl	100 (mM)	pH8.5