5JXW

2.25 Angstrom Crystal Structure of S-adenosylhomocysteinase from Cryptosporidium parvum in Complex with Neplanocin-A and NAD

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-F
Synchrotron site	APS
Beamline	21-ID-F
Temperature [K]	100
Detector technology	CCD
Collection date	2016-04-18
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.97872
Spacegroup name	P 1 21 1
Unit cell lengths	70.885, 136.486, 107.805
Unit cell angles	90.00, 95.73, 90.00

Refinement procedure

Resolution	29.930 - 2.250
R-factor	0.1758
Rwork	0.173
R-free	0.22103
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	PDB-5HM8
RMSD bond length	0.008
RMSD bond angle	1.469
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHASER
Refinement software	REFMAC (5.8.0135)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.290
High resolution limit [Å]	2.250	2.250
Rmerge	0.078	0.662
Number of reflections	96622
<I/σ(I)>	17.1	2.5
Completeness [%]	99.8	99.8
Redundancy	4.4	4.2
CC(1/2)	0.870

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	292	Protein: 9.3 mg/ml, 0.1M Tris HCl (pH 8.3),1mM NeplanocinA; Screen: Classics II (D7), 0.1M Bis-Tris-HCL (pH 6.5), 25% (w/v) PEG 3350