3OXK

Crystal structure of a histidine triad family protein from Entamoeba histolytica, bound to GMP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-E SUPERBRIGHT
Temperature [K]	100
Detector technology	CCD
Collection date	2010-09-17
Detector	RIGAKU SATURN 944
Wavelength(s)	1.541780
Spacegroup name	C 2 2 21
Unit cell lengths	53.660, 60.860, 67.930
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	27.770 - 1.550
R-factor	0.159
Rwork	0.157
R-free	0.20800
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	3omf with ligand and water molecules removed
RMSD bond length	0.013
RMSD bond angle	1.628
Data reduction software	XDS
Data scaling software	XSCALE
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	27.770		1.590
High resolution limit [Å]	1.550	6.930	1.550
Rmerge	0.050	0.018	0.391
Number of reflections	14890	217	976
<I/σ(I)>	25.18	96.9	3.8
Completeness [%]	90.3	99.1	82.4
Redundancy	6.6		5.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.2	290	Internal tracking number 217759B6. JCSG screen condition B6: 40% v/v ethanol, 5% w/v PEG 1000, phosphate-citrate buffer pH 4.2, EnhiA.01296.a.A1 PS00632 at 83.2 mg/ml + ~30 mM GMP, VAPOR DIFFUSION, SITTING DROP, temperature 290K