6R6T

Crystal structure of mouse cis-aconitate decarboxylase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.2
Synchrotron site	BESSY
Beamline	14.2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-05-11
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9184
Spacegroup name	P 43 21 2
Unit cell lengths	174.074, 174.074, 71.512
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	77.848 - 2.535
R-factor	0.2125
Rwork	0.211
R-free	0.24660
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2hp3
Data reduction software	XDS ((VERSION Nov 1)
Data scaling software	autoPROC ((Version 1.0.5))
Phasing software	BALBES
Refinement software	PHENIX

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	123.089	2.578
High resolution limit [Å]	2.535	2.535
Rmerge	0.122	1.583
Rmeas	0.127	1.444
Rpim	0.033	0.370
Total number of observations	527814	71632
Number of reflections	36057	4757
<I/σ(I)>	18	2.3
Completeness [%]	97.3	100
Redundancy	14.6	15.3
CC(1/2)	0.999	0.655

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	293	Condition 29 (60% tacsimate pH 7.0) of the INDEX sparse matrix screen (Hampton Research).