3WLR

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	100.688, 100.688, 183.294
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.370 - 2.210
R-factor	0.17179
Rwork	0.169
R-free	0.21841
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ieq
RMSD bond length	0.020
RMSD bond angle	1.716
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	REFMAC (5.5.0110)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.370	2.260
High resolution limit [Å]	2.210	2.210
Rmerge		0.990
Number of reflections	45206
<I/σ(I)>		2.4
Completeness [%]	98.8	88.1

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