3GMA

Glutaconyl-coA decarboxylase A subunit from Clostridium symbiosum co-crystallized with glutaryl-CoA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	ENRAF-NONIUS FR591
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2008-09-11
Detector	MAR scanner 345 mm plate
Wavelength(s)	1.54179
Spacegroup name	P 31 2 1
Unit cell lengths	156.472, 156.472, 141.403
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	68.520 - 2.600
R-factor	0.18934
Rwork	0.189
R-free	0.20891
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1pix
RMSD bond length	0.008
RMSD bond angle	1.144
Data reduction software	MOSFLM
Data scaling software	SCALA (3.2.25)
Phasing software	MOLREP
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	70.711	70.780	2.730
High resolution limit [Å]	2.594	8.200	2.590
Rmerge	0.103	0.034	0.455
Total number of observations		13103	50275
Number of reflections	61822
<I/σ(I)>	6.738	8.8	1.7
Completeness [%]	98.7	99.9	91.4
Redundancy	6.5	6.1	6.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP			co-crystallized with substrate analogon glutaryl-CoA, VAPOR DIFFUSION, HANGING DROP