5JPI

2.15 Angstrom Crystal Structure of S-adenosylhomocysteinase from Cryptosporidium parvum in Complex with D-Eritadenine and NAD

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-G
Synchrotron site	APS
Beamline	21-ID-G
Temperature [K]	100
Detector technology	CCD
Collection date	2016-04-14
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.97856
Spacegroup name	P 21 21 21
Unit cell lengths	115.847, 121.218, 178.770
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.970 - 2.150
R-factor	0.14415
Rwork	0.142
R-free	0.18125
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5hm8
RMSD bond length	0.009
RMSD bond angle	1.498
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	2.190
High resolution limit [Å]	2.150	2.150
Rmerge	0.100	0.691
Number of reflections	136687
<I/σ(I)>	20.2	3
Completeness [%]	100.0	100
Redundancy	7.5	7.4
CC(1/2)	0.887

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	292	Protein: 7.9 MG/ML, 0.5M SODIUM CHLORIDE, 0.1M TRIS HCL (PH 8.3), DEA; Screen: JCSG+ (A11), 0.2M Ammonium phosphate, 0.1M TRIS-HCL (pH 8.5), 50% (v/v) MPD