3R6F

Crystal structure of a zinc-containing HIT family protein from Encephalitozoon cuniculi

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-E+ SUPERBRIGHT
Temperature [K]	100
Detector technology	CCD
Collection date	2011-03-15
Detector	RIGAKU SATURN 944+
Wavelength(s)	1.5418
Spacegroup name	P 65 2 2
Unit cell lengths	44.570, 44.570, 233.310
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	19.330 - 1.850
R-factor	0.2084
Rwork	0.207
R-free	0.24330
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.013
RMSD bond angle	1.340
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER (2.1.4)
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.900
High resolution limit [Å]	1.850	8.270	1.850
Rmerge	0.050	0.033	0.509
Number of reflections	12691	181	887
<I/σ(I)>	32.6	75.56	2.62
Completeness [%]	99.8	90.5	99.8
Redundancy	13		4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	289	EncuA.00754.a.A1 PS00985 at 33.27 mg/mL against JCSG+ condition E4, 0.2 M lithium sulfate, 0.1 M Tris pH 8.5, 1.26 M ammonium sulfate cryo-protected with MPD, crystal tracking ID 220684e4, VAPOR DIFFUSION, SITTING DROP, temperature 289K