8HJ6

Crystal structure of barley exohydrolase isoform ExoI E220A mutant

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX1
Synchrotron site	Australian Synchrotron
Beamline	MX1
Temperature [K]	100
Detector technology	CCD
Collection date	2010-03-03
Detector	ADSC QUANTUM 210r
Wavelength(s)	0.9537
Spacegroup name	P 43 21 2
Unit cell lengths	100.233, 100.233, 183.174
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	87.930 - 1.790
R-factor	0.14355
Rwork	0.142
R-free	0.18048
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3wli
RMSD bond length	0.029
RMSD bond angle	2.429
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	REFMAC (7.0.005)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	87.930	1.840
High resolution limit [Å]	1.790	1.790
Number of reflections	79237	79237
<I/σ(I)>	48.6
Completeness [%]	95.3
Redundancy	24.8
CC(1/2)	0.998	0.998

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		277	1.7 M ammonium sulfate, 75 mM HEPES-NaOH buffer, pH 7, containing 7.5 mM sodium acetate and 1.2% (w/v) PEG 400