5CSY

Disproportionating enzyme 1 from Arabidopsis - acarbose 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	2011-09-21
Detector	DECTRIS PILATUS 2M
Wavelength(s)	0.9173
Spacegroup name	P 1
Unit cell lengths	69.790, 73.690, 79.350
Unit cell angles	64.59, 69.99, 66.78

Refinement procedure

Resolution	63.670 - 2.050
R-factor	0.1883
Rwork	0.187
R-free	0.21020
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1x1n
RMSD bond length	0.012
RMSD bond angle	1.493
Data reduction software	XDS
Data scaling software	Aimless (0.2.13)
Phasing software	PHASER
Refinement software	REFMAC (5.8.0123)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	63.670	63.670	2.100
High resolution limit [Å]	2.050	9.170	2.050
Rmerge	0.092	0.026	1.019
Rpim	0.051	0.014	0.570
Total number of observations	303777	3868	20932
Number of reflections	72219
<I/σ(I)>	14.3	62.3	1.6
Completeness [%]	89.7	99.1	87
Redundancy	4.2	4.3	4.1
CC(1/2)	0.997	0.998	0.636

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