1UF3

Crystal structure of TT1561 of thermus thermophilus HB8

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	2002-06-28
Detector	MARRESEARCH
Wavelength(s)	0.97940
Spacegroup name	C 1 2 1
Unit cell lengths	212.384, 77.342, 147.804
Unit cell angles	90.00, 127.21, 90.00

Refinement procedure

Resolution	29.970 - 2.100
Rwork	0.195
R-free	0.24500
Structure solution method	MAD
RMSD bond length	0.009
RMSD bond angle	1.600
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]	30.000	2.180
High resolution limit [Å]	2.100	2.100
Number of reflections	109746
Completeness [%]	98.3	97.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293	10% PEG8000, 0.1M HEPES, 200mM Calcium acetate, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K