1UFL

Crystal Structure of TT1020 from Thermus thermophilus HB8

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL44B2
Synchrotron site	SPring-8
Beamline	BL44B2
Temperature [K]	100
Detector technology	CCD
Collection date	2002-02-25
Detector	MARRESEARCH
Wavelength(s)	0.9
Spacegroup name	P 31 2 1
Unit cell lengths	97.070, 97.070, 56.560
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	48.540 - 2.700
Rwork	0.230
R-free	0.30700
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	24.400 *
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.800
High resolution limit [Å]	2.700	2.700
Rmerge	0.060	0.321
Total number of observations	91310 *
Number of reflections	8743
<I/σ(I)>	15.6	7.7
Completeness [%]	99.2	92.4
Redundancy	9.7	9.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8 *	16 *	iso-propanol, PEG4000, Na-Hepes, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 289K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	15 (mg/ml)
2	1	drop	Tris-HCl	0.02 (M)
3	1	drop		0.15 (M)	pH8.
4	1	reservoir	iso-propanol	7 (%)
5	1	reservoir	PEG4000	15 (%)
6	1	reservoir	sodium-Hepes	0.05 (M)	pH7.5