2ZCW

Crystal Structure of TTHA1359, a Transcriptional Regulator, CRP/FNR family from Thermus thermophilus HB8

Replaces:  2COH

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL26B2
Synchrotron site	SPring-8
Beamline	BL26B2
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2004-10-07
Detector	RIGAKU RAXIS V
Wavelength(s)	0.9, 0.97874, 0.97939
Spacegroup name	P 41 21 2
Unit cell lengths	54.050, 54.050, 147.718
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.400 - 1.500
R-factor	0.221
Rwork	0.221
R-free	0.23200
Structure solution method	MAD
RMSD bond length	0.005
RMSD bond angle	1.300
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	SOLVE
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.500
High resolution limit [Å]	1.450	1.450
Rmerge	0.046	0.266
Number of reflections	39799
<I/σ(I)>	50.7	7.7
Completeness [%]	99.6	96.1
Redundancy	13.1	8.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.1	293	31% MPD, 0.1M sodium acetate, 20mM calcium chloride, pH5.1, VAPOR DIFFUSION, HANGING DROP, temperature 293.0K