2XGX

Crystal structure of transcription factor NtcA from Synechococcus elongatus (mercury derivative)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE BM16
Synchrotron site	ESRF
Beamline	BM16
Temperature [K]	100
Detector technology	CCD
Collection date	2009-02-26
Detector	ADSC CCD
Spacegroup name	P 21 21 21
Unit cell lengths	67.393, 69.973, 149.002
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 2.850
R-factor	0.21236
Rwork	0.211
R-free	0.24530
Structure solution method	SAD
Starting model (for MR)	NONE
RMSD bond length	0.010
RMSD bond angle	1.298
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	SHELX (SOFTWARE PACKAGE)
Refinement software	REFMAC (5.5.0072)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	74.500	3.000
High resolution limit [Å]	2.850	2.850
Rmerge	0.080	0.460
Number of reflections	16626
<I/σ(I)>	8	1.9
Completeness [%]	97.3	97.3
Redundancy	6.6	6.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		6.5		NTCA PROTEIN WAS AT 4.7 MG/ML IN 50 MM SODIUM CITRATE PH 6.5, 0.5 M NACL, 5 MM MAGNESIUM CHLORIDE, 50 MM ARGININE HYDROCHLORIDE, 50 MM NA L-GLUTAMATE AND 10 MM 2- OXOGLUTARATE (2OG). CRISTALLIZATION SOLUTION: 0.1 M BIS-TRIS PH 6.5, 36 % PEG 400. THEN, SOAKED IN THE SAME SOLUTION CONTAINING ALSO 10MM 2OG AND 2 MM HGCL2.