2XKO

Crystal structure of the complex of NtcA with its transcriptional co- activator PipX

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 41
Unit cell lengths	52.020, 52.020, 227.730
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	25.000 - 2.250
R-factor	0.2157
Rwork	0.214
R-free	0.24533
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2xhk
RMSD bond length	0.014
RMSD bond angle	1.419
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	MOLREP
Refinement software	REFMAC (5.5.0072)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	56.890	2.370
High resolution limit [Å]	2.250	2.250
Rmerge	0.080	0.400
Number of reflections	28245
<I/σ(I)>	7.1	2
Completeness [%]	98.9	98.9
Redundancy	6.9	5.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		5.5		NTCA-PIPX COMPLEX WAS 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. CRYSTALLIZATION SOLUTION: 50 MM MES PH 5.5, 1M SODIUM MALONATE 10 MM MANGANESE CHLORIDE, 2% MPD, 5% DMSO.