4Q04

Crystal structure of URE3-BP from Entomaeba histolytica without calcium

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-E+ SUPERBRIGHT
Temperature [K]	100
Detector technology	CCD
Collection date	2013-09-21
Detector	RIGAKU SATURN 944+
Wavelength(s)	1.5418
Spacegroup name	P 43 21 2
Unit cell lengths	69.420, 69.420, 187.360
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 1.900
R-factor	0.1849
Rwork	0.182
R-free	0.23950
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3sjs
RMSD bond length	0.015
RMSD bond angle	1.649
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER (2.5.2)
Refinement software	REFMAC (5.8.0069)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000		1.950
High resolution limit [Å]	1.900	8.500	1.900
Rmerge	0.059	0.021	0.239
Number of reflections	33977	403	2390
<I/σ(I)>	20.19	51.14	3.18
Completeness [%]	91.3	75.9	89.6
Redundancy	5.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	289	EnhiA.01648.a.D11.PD00049 at 11.96 mg/mL against Precipitant Synergy block 2, 20.1% PEG 1500, 2.01% MPD, 0.2 M magnesium sulfate, 0.1 M sodium acetate pH 5.5, crystal tracking ID 248792c5, unique puck ID cjw8-9, VAPOR DIFFUSION, SITTING DROP, temperature 289K