5BNI

Porcine CD38 complexed with complexed with a covalent intermediate, ribo-F-ribose-5'-phosphate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSRRC BEAMLINE BL13B1
Synchrotron site	NSRRC
Beamline	BL13B1
Temperature [K]	100
Detector technology	CCD
Collection date	2011-03-10
Detector	ADSC QUANTUM 315r
Wavelength(s)	1
Spacegroup name	P 21 21 2
Unit cell lengths	69.507, 104.973, 63.785
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	25.000 - 2.500
R-factor	0.1915
Rwork	0.187
R-free	0.27760
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.443
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	REFMAC (5.7.0029)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	30.000	30.000	2.590
High resolution limit [Å]	2.500	5.380	2.500
Rmerge	0.134	0.066	0.637
Total number of observations	63464
Number of reflections	16205
<I/σ(I)>	4.5
Completeness [%]	96.0	93.5	95.5
Redundancy	3.9	3.6	3.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	291	PEG 4000, PEG 400, magnesium chloride, tris