2TN4

FOUR CALCIUM TNC

Experimental procedure

Source type	SYNCHROTRON
Source details	CHESS BEAMLINE A1
Synchrotron site	CHESS
Beamline	A1
Temperature [K]	160
Detector technology	CCD
Collection date	1997-03-02
Detector	ADSC QUANTUM
Spacegroup name	C 1 2 1
Unit cell lengths	83.120, 51.880, 52.120
Unit cell angles	90.00, 121.90, 90.00

Refinement procedure

Resolution	10.000 - 2.000
R-factor	0.212 *
Rwork	0.212
R-free	0.26500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1tn4
RMSD bond length	0.012
RMSD bond angle	22.300 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.700
High resolution limit [Å]	2.000	2.000
Rmerge	0.109	0.185
Total number of observations	168056 *
Number of reflections	12852
<I/σ(I)>	25	27
Completeness [%]	94.4	93.1
Redundancy	10.1	2.8

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 (%)