3WLH

Crystal Structure Analysis of Plant Exohydrolase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-5A
Synchrotron site	Photon Factory
Beamline	BL-5A
Temperature [K]	100
Detector technology	CCD
Collection date	2007-11-12
Detector	ADSC QUANTUM 315
Wavelength(s)	1.0
Spacegroup name	P 43 21 2
Unit cell lengths	101.015, 101.015, 182.060
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	31.940 - 1.650
R-factor	0.16244
Rwork	0.161
R-free	0.19294
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ieq
RMSD bond length	0.018
RMSD bond angle	1.583
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	REFMAC (5.3.0040)

Data quality characteristics

	Overall
Low resolution limit [Å]	31.940
High resolution limit [Å]	1.650
Rmerge	0.089
Number of reflections	106290
<I/σ(I)>	1
Completeness [%]	98.5
Redundancy	13

Crystallization Conditions

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