3URR

Structure of PTS IIA-like nitrogen-regulatory protein PtsN (BTH_I0484) (ptsN)

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]	100
Detector technology	CCD
Collection date	2011-11-07
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	1.03320
Spacegroup name	P 1 21 1
Unit cell lengths	36.975, 102.267, 37.477
Unit cell angles	90.00, 92.89, 90.00

Refinement procedure

Resolution	35.149 - 1.397
R-factor	0.1716
Rwork	0.170
R-free	0.20330
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2a0j
RMSD bond length	0.008
RMSD bond angle	1.213
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX (1.7.2_869)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.450
High resolution limit [Å]	1.397	3.020	1.397
Rmerge	0.075	0.062	0.569
Number of reflections	54470
<I/σ(I)>	11.6
Completeness [%]	99.7	98	99.6
Redundancy	4.1	4.1	3.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.5	289	0.2 M Lithium Sulfate, 0.1 M sodium acetate pH 4.5, 30% PEG 8000, VAPOR DIFFUSION, SITTING DROP, temperature 289K