5UTU

2.65 Angstrom Resolution Crystal Structure of S-adenosylhomocysteinase from Cryptosporidium parvum in Complex with SAH 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	2016-03-21
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.97872
Spacegroup name	P 1 21 1
Unit cell lengths	107.906, 185.834, 121.619
Unit cell angles	90.00, 97.98, 90.00

Refinement procedure

Resolution	30.000 - 2.650
R-factor	0.172
Rwork	0.170
R-free	0.20208
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5hm8
RMSD bond length	0.009
RMSD bond angle	1.586
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHASER
Refinement software	REFMAC (5.8.0158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.700
High resolution limit [Å]	2.650	2.650
Rmerge	0.099	0.646
Rpim	0.047	0.307
Number of reflections	137384	6836
<I/σ(I)>	16.2	2.8
Completeness [%]	100.0	100
Redundancy	5.2	5.2
CC(1/2)		0.843

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	295	Protein: 9.3 mg/ml, 0.5M Sodium chloride, 0.1M Tris HCl (pH 8.3), 1mM Adenosine, 1mM NAD, 1mM Homocysteine; Screen: Classics II (F6), 0.2M Ammonium sulfate, 0.1M Bis-Tris (pH 5.5), 25% (w/v) PEG 3350.