2XKP

NtcA from Synechococcus elongatus: active and inactive

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 QUANTUM 210r
Spacegroup name	P 61
Unit cell lengths	110.391, 110.391, 219.600
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	50.000 - 3.050
R-factor	0.20828
Rwork	0.206
R-free	0.24740
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2xhk
RMSD bond length	0.009
RMSD bond angle	1.222
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	MOLREP
Refinement software	REFMAC (5.5.0072)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	87.700	3.210
High resolution limit [Å]	3.050	3.050
Rmerge	0.120	0.430
Number of reflections	28882
<I/σ(I)>	5.6	1.8
Completeness [%]	100.0	100
Redundancy	11.2	11.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		8.3		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, 10 MM 2-OXOGLUTARATE. CRYSTALLIZATION SOLUTION: 0.2 M POTASSIUM CITRATE PH 8.3, 20 % PEG-3350.