4ODJ

Crystal structure of a putative S-adenosylmethionine synthetase from Cryptosporidium hominis in complex with S-adenosyl-methionine

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	2013-10-16
Detector	RAYONIX MX-225
Wavelength(s)	0.97872
Spacegroup name	P 32 2 1
Unit cell lengths	117.860, 117.860, 54.040
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	50.000 - 1.600
R-factor	0.1456
Rwork	0.144
R-free	0.16520
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3SO4 modified with CCP4 program chainsaw
RMSD bond length	0.012
RMSD bond angle	1.645
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER (2.5.2)
Refinement software	REFMAC (5.8.0049)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.640
High resolution limit [Å]	1.600	7.160	1.600
Rmerge	0.058	0.025	0.560
Number of reflections	56815	668	4175
<I/σ(I)>	14.33	38.95	2.39
Completeness [%]	99.5	94.2	99.5
Redundancy	3.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.2	290	Microlytics MCSG1 screen, g11: 100mM Na2HPO4/citric acid pH 4.2, 40% PEG 300; CrhoA.00729.a.B1.PW37315 at 28.4mg/ml + 2.5mM S-Adenosyl-Methionine; tray 247830, puck QJI2-2, VAPOR DIFFUSION, SITTING DROP, temperature 290K