4BQE

Arabidopsis thaliana Cytosolic Alpha-1,4-glucan Phosphorylase (PHS2)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	CCD
Collection date	2010-08-02
Detector	ADSC QUANTUM 315
Spacegroup name	P 1 21 1
Unit cell lengths	84.670, 117.100, 94.180
Unit cell angles	90.00, 106.72, 90.00

Refinement procedure

Resolution	90.200 - 1.700
R-factor	0.15427
Rwork	0.153
R-free	0.18274
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1gpb
RMSD bond length	0.013
RMSD bond angle	1.486
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	REFMAC (5.6.0117)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.110	1.790
High resolution limit [Å]	1.700	1.700
Rmerge	0.080	0.430
Number of reflections	190517
<I/σ(I)>	11.8	2.5
Completeness [%]	98.9	93.5
Redundancy	4.2	3.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.25	293	CRYSTALLISED FROM APPROXIMATELY 20% PEG3350, 100 MM AMMONIUM CITRATE PH 8.25, 10% GLYCEROL USING THE HANGING DROP VAPOUR DIFFUSION METHOD AT 20 DEG C. 1 MICROLITRE OF PROTEIN AT 10 MG PER ML IN 12.5 MM HEPES PH 7.5, 25 MM NACL WAS MIXED WITH 1 MICROLITRE OF THE WELL SOLUTION TO GIVE THE FINAL DROP