3IEL

Crystal Structure of TTHA0252 from Thermus thermophilus HB8 complexed with UMP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL44B2
Synchrotron site	SPring-8
Beamline	BL44B2
Temperature [K]	95
Detector technology	CCD
Collection date	2009-07-23
Detector	ADSC QUANTUM 210
Wavelength(s)	1
Spacegroup name	C 1 2 1
Unit cell lengths	145.238, 146.677, 120.349
Unit cell angles	90.00, 110.11, 90.00

Refinement procedure

Resolution	50.000 - 2.350
Rwork	0.222
R-free	0.25900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2dkf
Data reduction software	DENZO
Data scaling software	SCALEPACK
Refinement software	CNS

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.430
High resolution limit [Å]	2.350	5.060	2.350
Rmerge	0.039	0.024	0.340
Number of reflections	97950
<I/σ(I)>	22.7
Completeness [%]	99.8	98.5	99.9
Redundancy	5.7	5.5	5.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.6	293	50mM sodium citrate, 0.2M ammonium sulfate, 0.6M lithium sulfate, pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 293K