1WN3

Crystal structure of TT0310 protein from 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	2002-05-20
Detector	RIGAKU RAXIS V
Wavelength(s)	1.5418
Spacegroup name	P 1 21 1
Unit cell lengths	87.055, 82.454, 59.428
Unit cell angles	90.00, 92.49, 90.00

Refinement procedure

Resolution	30.000 - 2.100
R-factor	0.18
Rwork	0.180
R-free	0.20900
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	1wlv
RMSD bond length	0.006
RMSD bond angle	1.200
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.180
High resolution limit [Å]	2.100	2.100
Rmerge	0.092	0.440
Number of reflections	48737
<I/σ(I)>	8.4	3.7
Completeness [%]	99.9	100
Redundancy	5.0 *	5.0 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICRODIALYSIS	5.2	22 *	Isopropanol, hexanoyl-CoA, acetate-NaOH, pH 5.2, MICRODIALYSIS, temperature 295.0K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	1	protein	30.0 (mg/ml)
2	1	1		50 (mM)
3	1	2	hexanoyl-CoA	2.5 (mM)
4	1	2	isopropanol	13.8 (%)
5	1	2	acetate-NaOH	0.1 (M)	pH5.2