3LF0

Crystal structure of the ATP bound Mycobacterium tuberculosis nitrogen regulatory PII protein

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-B
Synchrotron site	APS
Beamline	23-ID-B
Temperature [K]	120
Detector technology	CCD
Collection date	2005-10-17
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.97953
Spacegroup name	P 43 21 2
Unit cell lengths	69.742, 69.742, 146.682
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	62.990 - 2.400
R-factor	0.20752
Rwork	0.204
R-free	0.27246
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3bzq
RMSD bond length	0.017
RMSD bond angle	1.860
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	CCP4
Refinement software	REFMAC (5.5.0102)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	62.990	2.464
High resolution limit [Å]	2.400	2.400
Rmerge	0.070	0.630
Number of reflections	14020
<I/σ(I)>	12.2	2.02
Completeness [%]	99.8	97.92

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	289	0.1 M Imidazole pH 6.0 and 1.0 M Sodium acetate trihydrate, VAPOR DIFFUSION, HANGING DROP, temperature 289K