5YW2

Crystal structure of Adenine phosphoribosyltransferase from Francisella tularensis.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE BM14
Synchrotron site	ESRF
Beamline	BM14
Temperature [K]	100
Detector technology	CCD
Collection date	2015-12-08
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.953
Spacegroup name	P 21 21 21
Unit cell lengths	54.168, 82.147, 170.119
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	35.360 - 2.280
R-factor	0.20481
Rwork	0.202
R-free	0.25875
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4mb6
RMSD bond length	0.021
RMSD bond angle	2.068
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0158)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	35.360	35.360	2.320
High resolution limit [Å]	2.280	6.190	2.280
Rmerge	0.082	0.037	0.971
Rmeas	0.084	0.040
Rpim	0.029	0.014	0.332
Number of reflections	35141	1931	1715
<I/σ(I)>	9.3
Completeness [%]	99.3	99	100
Redundancy	9	8	9.2
CC(1/2)		0.999	0.930

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	298	0.2M Magnesium chloride, 0.1M HEPES:NaOH pH 7.5, 25% PEG 3350, cryo 0.5M Lithium sulphate