5YW5

Crystal structure of Adenine phosphoribosyltransferase from Francisella tularensis in complex with adenine

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X29A
Synchrotron site	NSLS
Beamline	X29A
Temperature [K]	100
Detector technology	CCD
Collection date	2014-05-08
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.075
Spacegroup name	P 21 21 21
Unit cell lengths	55.015, 75.207, 171.999
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.400 - 1.900
R-factor	0.1829
Rwork	0.180
R-free	0.23210
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5yw2
RMSD bond length	0.026
RMSD bond angle	2.367
Data reduction software	HKL-2000
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]	44.400	44.400	1.930
High resolution limit [Å]	1.900	5.160	1.900
Rmerge	0.121	0.066	0.795
Rmeas	0.130	0.071	0.852
Rpim	0.045	0.025	0.302
Number of reflections	56827	3101	2756
<I/σ(I)>	6.9
Completeness [%]	99.7	99.8	99
Redundancy	8.4	7.7	7.8
CC(1/2)		0.997	0.814

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	298	0.2M Sodium acetate, 0.1M Tris pH 8.5, 30% PEG 4000, soaked with 5mM adenine