1UFO

Crystal Structure of TT1662 from Thermus thermophilus

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL44B2
Synchrotron site	SPring-8
Beamline	BL44B2
Temperature [K]	100
Detector technology	CCD
Collection date	2002-03-14
Detector	MARRESEARCH
Wavelength(s)	0.9794
Spacegroup name	P 31
Unit cell lengths	129.857, 129.857, 70.119
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	50.000 * - 1.600
Rwork	0.170
R-free	0.20700 *
Structure solution method	MAD
RMSD bond length	0.024
RMSD bond angle	24.500 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SOLVE
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.660
High resolution limit [Å]	1.600	1.600
Rmerge	0.072 *	0.321 *
Total number of observations	1336033 *
Number of reflections	174213
<I/σ(I)>		6.5
Completeness [%]	99.8	99.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		20 *	24% PEG3350, 0.2M KF, VAPOR DIFFUSION, HANGING DROP, temperature 293K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	PEG3350	20 (%)
2	1	reservoir	potassium fluoride	0.2 (M)
3	1	drop	protein	4.5 (mg/ml)