2DEV

Crystal structure of tt0972 protein from Thermus Thermophilus with Cs(+) ions

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL26B2
Synchrotron site	SPring-8
Beamline	BL26B2
Temperature [K]	100
Detector technology	CCD
Collection date	2004-10-28
Detector	RIGAKU JUPITER 210
Wavelength(s)	0.97910
Spacegroup name	P 41 21 2
Unit cell lengths	65.764, 65.764, 204.285
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.890 - 2.450
R-factor	0.246
Rwork	0.246
R-free	0.28800
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	2deh
RMSD bond length	0.010
RMSD bond angle	1.400
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.540
High resolution limit [Å]	2.450	2.450
Rmerge	0.043	0.499
Number of reflections	17151
<I/σ(I)>	34.9	3.4
Completeness [%]	98.8	97.1
Redundancy	6.9	6.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	293	6% PEG 4000, 60mM sodium acetate, 60mM lithium chloride, 100mM cesium chloride, 0.5mM nickel chloride, 30mM TRIS, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K