3UAX

Crystal structure of adenosine phosphorylase from Bacillus cereus complexed with inosine

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-C
Synchrotron site	APS
Beamline	24-ID-C
Temperature [K]	100
Detector technology	CCD
Detector	ADSC QUANTUM 315
Wavelength(s)	0.97946
Spacegroup name	P 63 2 2
Unit cell lengths	122.800, 122.800, 68.100
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	32.428 - 1.200
R-factor	0.1286
Rwork	0.128
R-free	0.14770
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ecp
RMSD bond length	0.008
RMSD bond angle	1.292
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	PHENIX (1.7.1_743)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.240
High resolution limit [Å]	1.200	2.590	1.200
Rmerge	0.060	0.053	0.357
Number of reflections	88185
<I/σ(I)>	21.8
Completeness [%]	93.5	97.8	77.8
Redundancy	3.4	5.4	2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	291	1.3-1.5 M ammonium sulfate, pH 5.5, vapor diffusion, hanging drop, temperature 291K