4M0K

Crystal structure of adenine phosphoribosyltransferase from Rhodothermus marinus DSM 4252, NYSGRC Target 029775.

Experimental procedure

Experimental method	SAD
Source type	SYNCHROTRON
Source details	APS BEAMLINE 31-ID
Synchrotron site	APS
Beamline	31-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2013-07-18
Detector	RAYONIX MX225HE
Wavelength(s)	0.9791
Spacegroup name	P 1
Unit cell lengths	40.214, 64.609, 73.148
Unit cell angles	87.30, 77.23, 85.37

Refinement procedure

Resolution	20.000 - 1.400
R-factor	0.185
Rwork	0.184
R-free	0.20950
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2dy0
RMSD bond length	0.008
RMSD bond angle	1.406
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	PHASER (2.5.1)
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.420
High resolution limit [Å]	1.400	3.800	1.400
Rmerge	0.070	0.053	0.667
Number of reflections	135383
<I/σ(I)>	12.7
Completeness [%]	95.9	97.5	93
Redundancy	3.8	3.8	3.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	298	0.2 M calcium chloride, 0.1 M HEPES:NAOH, pH 7.5, 30% PEG 4000, VAPOR DIFFUSION, SITTING DROP, temperature 298K