5CPQ

Disproportionating enzyme 1 from Arabidopsis - apo form

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	CCD
Collection date	2011-08-11
Detector	ADSC QUANTUM 315
Wavelength(s)	0.9763
Spacegroup name	P 1
Unit cell lengths	70.650, 74.220, 79.700
Unit cell angles	64.97, 69.48, 66.02

Refinement procedure

Resolution	57.780 - 2.130
R-factor	0.1884
Rwork	0.187
R-free	0.21820
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1x1n
RMSD bond length	0.012
RMSD bond angle	1.401
Data reduction software	XDS
Data scaling software	SCALA (3.3.16)
Phasing software	PHASER
Refinement software	REFMAC (5.8.073)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	70.515	57.395	2.240
High resolution limit [Å]	2.126	6.720	2.130
Rmerge		0.039	0.541
Rmeas	0.106
Rpim	0.063	0.029	0.404
Total number of observations	181754	6160	23984
Number of reflections	68185
<I/σ(I)>	6.7	15	1.7
Completeness [%]	92.6	96.6	84.4
Redundancy	2.7	2.7	2.6

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