1UF9

Crystal structure of TT1252 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	2002-09-26
Detector	MARRESEARCH
Wavelength(s)	0.9793
Spacegroup name	P 32
Unit cell lengths	102.120, 102.120, 65.670
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	20.000 * - 2.800
Rwork	0.222
R-free	0.29970 *
Structure solution method	MAD
RMSD bond length	0.007
RMSD bond angle	21.700 *
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	SOLVE
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000 *	2.900
High resolution limit [Å]	2.800	2.800
Rmerge	0.093 *	0.298 *
Total number of observations	159215 *
Number of reflections	18914
<I/σ(I)>		7.5
Completeness [%]	100.0	100

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5 *	20 *	0.72M sodium citrate, 90mM imidazole, 10% PEG3000, 10mM CHES, pH 7.8, VAPOR DIFFUSION, HANGING DROP, temperature 293K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	imidazole	100 (mM)	pH8.0
10	1	drop		100 (mM)
11	1	drop	ATP	0.2 (mM)
12	1	drop	dCoA	0.2 (mM)
13	1	drop	protein	1000 (nm/ml)
2	1	reservoir	CHES	20 (mM)	pH9.5
3	1	reservoir	sodium citrate	0.8 (M)
4	1	reservoir	PEG3000	6 (%)
5	1	reservoir		2 (mM)
6	1	reservoir	ATP	1 (mM)
7	1	drop	Tris-HCl	50 (mM)	pH7.5
8	1	drop	magnesium acetatea	10 (mM)
9	1	drop		20 (mM)