6C07

Crystal Structure of S-Adenosylmethionine synthetase (MetK/Mat) from Cryptosporidium parvum

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-B
Synchrotron site	APS
Beamline	23-ID-B
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-12-20
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.03315
Spacegroup name	I 1 2 1
Unit cell lengths	134.390, 62.060, 191.583
Unit cell angles	90.00, 90.65, 90.00

Refinement procedure

Resolution	19.988 - 1.850
R-factor	0.1596
Rwork	0.157
R-free	0.20360
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4odj
RMSD bond length	0.011
RMSD bond angle	1.090
Data reduction software	MOSFLM
Data scaling software	Aimless (0.3.8)
Phasing software	MOLREP
Refinement software	PHENIX ((1.13_2998: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	59.050	1.916
High resolution limit [Å]	1.850	1.850
Rmerge	0.055	0.524
Rmeas	0.077	0.741
Rpim	0.055	0.524
Number of reflections	185005	12821
<I/σ(I)>	8.15	1.39
Completeness [%]	98.7	94.92
Redundancy	2.7	1.8
CC(1/2)	0.996	0.532

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	293	25% PEG3350, 0.2 M ammonium sulfate, 0.01 M magnesium chloride, 0.1 M Bis-Tris, pH 6.5