3OMF

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

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-E+ SUPERBRIGHT
Temperature [K]	100
Detector technology	CCD
Collection date	2010-08-19
Detector	RIGAKU SATURN 944+
Wavelength(s)	1.541780
Spacegroup name	C 2 2 21
Unit cell lengths	53.580, 60.630, 67.880
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	34.560 - 1.800
R-factor	0.148
Rwork	0.146
R-free	0.19100
Structure solution method	MR, MR
Starting model (for MR)	3oj7
RMSD bond length	0.012
RMSD bond angle	1.516
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	34.560		1.850
High resolution limit [Å]	1.800	8.050	1.800
Rmerge	0.023	0.018	0.045
Number of reflections	9684	135	626
<I/σ(I)>	52.96	94.7	21.4
Completeness [%]	91.6	94.4	80.3
Redundancy	5.8		3.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.2	289	Internal tracking number 217183B6. 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, 10 mM AMP, VAPOR DIFFUSION, SITTING DROP, temperature 289K