3OJ7

Crystal structure of a histidine triad family protein from entamoeba histolytica, bound to sulfate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.3
Synchrotron site	ALS
Beamline	5.0.3
Temperature [K]	100
Detector technology	CCD
Collection date	2010-07-31
Detector	ADSC QUANTUM 315
Wavelength(s)	0.976500
Spacegroup name	C 2 2 21
Unit cell lengths	52.890, 61.030, 67.310
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	34.370 - 1.400
R-factor	0.163
Rwork	0.162
R-free	0.18400
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1XQU
RMSD bond length	0.015
RMSD bond angle	1.697
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	REFMAC (5.5.0109)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	34.370	1.440
High resolution limit [Å]	1.400	1.400
Rmerge	0.036	0.495
Number of reflections	21768
<I/σ(I)>	25.27	3.8
Completeness [%]	99.8	100
Redundancy	7.03	7.12

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.5	289	INTERNAL TRACKING 216243A1. JCSG SCREEN CONDITION A1: 50% PEG400, 0.1 M ACETATE BUFFER PH 4.5, 200 MM LI2SO4, ENHIA.01296.A.A1 PS00632 AT 83.2 MG/ML, VAPOR DIFFUSION, SITTING DROP, TEMPERATURE 289K