4MA5

The crystal structure of phosphoribosylaminoimidazole carboxylase ATPase subunit of Francisella tularensis subsp. tularensis SCHU S4 in complex with an ATP analog, AMP-PNP.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2013-08-02
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97860
Spacegroup name	P 43 21 2
Unit cell lengths	84.943, 84.943, 106.539
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	26.861 - 1.809
R-factor	0.1751
Rwork	0.173
R-free	0.21570
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4m9u
RMSD bond length	0.007
RMSD bond angle	1.180
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	MOLREP
Refinement software	PHENIX ((phenix.refine: 1.8.2_1309))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	27.000	1.840
High resolution limit [Å]	1.809	1.810
Rmerge	0.077	0.643
Number of reflections	34710
<I/σ(I)>	40.1	2.85
Completeness [%]	95.7	97.9
Redundancy	6.5	6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.6	289	0.2M (NH4)2SO4, 0.1M NaAct, 25% (w/v) PEG 4000, 15mM AMP-PNP, pH 4.6, VAPOR DIFFUSION, SITTING DROP, temperature 289K