1TN4

FOUR CALCIUM TNC

Experimental procedure

Source type	ROTATING ANODE
Source details	ELLIOTT GX-13
Temperature [K]	160
Detector technology	IMAGE PLATE
Collection date	1996-06-25
Detector	MARRESEARCH
Spacegroup name	P 21 21 21
Unit cell lengths	32.340, 57.554, 102.130
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	10.000 - 1.950
R-factor	0.189 *
Rwork	0.189
R-free	0.26500
Structure solution method	SINGLE ISOMORPHOUS REPLACEMENT, DENSITY MODIFICATION
RMSD bond length	0.015
RMSD bond angle	20.580 *
Data reduction software	DENZO
Data scaling software	SCALEPACK

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	25.000	2.200
High resolution limit [Å]	1.930	1.900
Rmerge	0.072	0.160
Total number of observations	157890 *
Number of reflections	14374
<I/σ(I)>	10.8	24
Completeness [%]	97.8	92.05
Redundancy	11	6.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion *	7.2	4 *	used to seeding *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	HEPES	50 (mM)
2	1	reservoir		10 (mM)
3	1	reservoir	MPD	48 (%)