3TRC

Structure of the GAF domain from a phosphoenolpyruvate-protein phosphotransferase (ptsP) from Coxiella burnetii

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	CCD
Collection date	2011-06-28
Detector	RIGAKU SATURN 944
Wavelength(s)	1.5418
Spacegroup name	P 43 21 2
Unit cell lengths	54.869, 54.869, 105.256
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	31.229 - 1.650
R-factor	0.1869
Rwork	0.185
R-free	0.21440
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	0.933
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX (1.7_650)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.680
High resolution limit [Å]	1.650	4.480	1.650
Rmerge	0.051	0.042	0.351
Number of reflections	19760
<I/σ(I)>	13.9
Completeness [%]	98.3	99.4	91.4
Redundancy	7.9	14.6	2.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		7.5	295	0.1M HEPES pH 7.5, 1.4M tri-sodium citrate, sitting drop, temperature 295K