3UAY

Crystal structure of Bacillus cereus adenosine phosphorylase D204N mutant complexed with adenosine

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	122.200, 122.200, 68.200
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	34.503 - 1.400
R-factor	0.1378
Rwork	0.137
R-free	0.15180
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ecp
RMSD bond length	0.009
RMSD bond angle	1.299
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	1.450
High resolution limit [Å]	1.400	3.020	1.400
Rmerge	0.056	0.031	0.430
Number of reflections	58861
<I/σ(I)>	15.1
Completeness [%]	99.2	94.1	100
Redundancy	7.1	6.6	7.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	291	1.1 - 1.25 M sodium citrate, pH 5.5, vapor diffusion, hanging drop, temperature 291K