3WLQ

Crystal Structure Analysis of Plant Exohydrolase

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
Detector	ADSC QUANTUM 210r
Wavelength(s)	0.9615
Spacegroup name	P 43 21 2
Unit cell lengths	100.781, 100.781, 183.159
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	88.300 - 1.650
R-factor	0.1589
Rwork	0.157
R-free	0.18805
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ieq
RMSD bond length	0.020
RMSD bond angle	1.715
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	REFMAC (5.5.0109)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	88.300	1.690
High resolution limit [Å]	1.650	1.650
Rmerge		0.817
Number of reflections	107601
<I/σ(I)>		2.3
Completeness [%]	99.7	98.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	277	75mM HEPES-NaOH pH7.0, 1.2% PEG 400, 1.7M ammonium sulphate , VAPOR DIFFUSION, HANGING DROP, temperature 277K