2DU9

crystal structure of the transcriptional factor from C.glutamicum

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL41XU
Synchrotron site	SPring-8
Beamline	BL41XU
Temperature [K]	100
Detector technology	CCD
Collection date	2005-10-05
Detector	ADSC QUANTUM 315
Wavelength(s)	0.9790, 0.9793, 0.9000
Spacegroup name	P 41 21 2
Unit cell lengths	46.950, 46.950, 152.480
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 2.280
Rwork	0.265
R-free	0.28300
Structure solution method	MAD
RMSD bond length	0.012
RMSD bond angle	1.569
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	SOLVE
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.360
High resolution limit [Å]	2.280	2.280
Rmerge	0.060	0.398
Number of reflections	8392
<I/σ(I)>	20.8	2.3
Completeness [%]	99.3	95.6
Redundancy	11.7	5.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	293	0.1M Tris-HCl, 12% 2-methyl-2,4 pentanediol, 0.1M Li2SO4, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K