1IUH

Crystal structure of TT0787 of thermus thermophilus HB8

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2001-09-01
Detector	RIGAKU RAXIS IV
Wavelength(s)	1.54
Spacegroup name	I 2 2 2
Unit cell lengths	37.982, 75.816, 159.640
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.350 - 2.500
R-factor	0.198
Rwork	0.198
R-free	0.27100
Structure solution method	MIR
RMSD bond length	0.021
RMSD bond angle	26.100 *
Data reduction software	DENZO
Phasing software	SOLVE
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000
High resolution limit [Å]	2.500	2.500 *
Rmerge	0.039 *	0.131 *
Total number of observations	29650 *
Number of reflections	8130
Completeness [%]	97.7	96.1 *
Redundancy	3.6 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.6	30 *	PEG4000, ammonium sulfate, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 303K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	4.5 (mg/ml)
2	1	reservoir	PEG4000	15 (%(w/v))
3	1	reservoir	ammonium acetate	0.1 (M)
4	1	reservoir	sodium acetate	0.1 (M)	pH4.6