6AIY

Crystal structure of DXO (E234A mutant) in complex with adenosine 3', 5' bisphosphate and two magnesium ions

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	2012-03-23
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.075
Spacegroup name	P 1 21 1
Unit cell lengths	46.499, 88.081, 50.040
Unit cell angles	90.00, 114.42, 90.00

Refinement procedure

Resolution	40.469 - 1.902
R-factor	0.1725
Rwork	0.170
R-free	0.20260
RMSD bond length	0.006
RMSD bond angle	0.857
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	CNS
Refinement software	PHENIX ((1.13_2998: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.970
High resolution limit [Å]	1.900	1.900
Number of reflections	28870
<I/σ(I)>	21.7
Completeness [%]	99.0
Redundancy	3.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	20% (w/v) PEG 3350, 100mM pAp, 10mM MgCl2