5CQ1

Disproportionating enzyme 1 from Arabidopsis - cycloamylose soak

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04-1
Synchrotron site	Diamond
Beamline	I04-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2011-10-17
Detector	DECTRIS PILATUS 2M
Wavelength(s)	0.9173
Spacegroup name	P 1
Unit cell lengths	69.890, 73.350, 79.390
Unit cell angles	65.28, 69.49, 66.86

Refinement procedure

Resolution	32.028 - 2.300
R-factor	0.1772
Rwork	0.176
R-free	0.20510
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1x1n
RMSD bond length	0.011
RMSD bond angle	1.394
Data reduction software	XDS
Data scaling software	SCALA (3.3.16)
Phasing software	PHASER
Refinement software	REFMAC (5.8.0073)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	32.028	32.028	2.360
High resolution limit [Å]	2.300	10.290	2.300
Rmerge		0.029	0.552
Rmeas	0.085
Rpim	0.037	0.014	0.264
Total number of observations	279175	3195	20509
Number of reflections	52739
<I/σ(I)>	14.3	39.2	3
Completeness [%]	92.4	95.6	92.2
Redundancy	5.3	5.2	5.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	293	1 microliter of 9% PEG2000 MME in 0.1 M HEPES-NaOH, pH 8.0 was added to 1 microliter of protein at a concentration of 10 mg/ml in 20 mM HEPES-NaOH, pH 7.5, 150 mM NaCl