1IUK

The structure of native ID.343 from Thermus thermophilus

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL45XU
Synchrotron site	SPring-8
Beamline	BL45XU
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2001-10-04
Detector	RIGAKU RAXIS V
Spacegroup name	P 21 21 21
Unit cell lengths	27.908, 64.581, 67.858
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 1.700
R-factor	0.234
Rwork	0.220
R-free	0.28400
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1iul
RMSD bond length	0.007
RMSD bond angle	26.100 *
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	X-PLOR (3.851)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.760
High resolution limit [Å]	1.700	1.700
Rmerge	0.060	0.122
Total number of observations	62895 *
Number of reflections	24119 *
<I/σ(I)>	14.3
Completeness [%]	92.4	80.1
Redundancy	2.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *		293	PEG400, temperature 293K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	13.8 (mg/ml)
2	1	reservoir	PEG400	20 (%)