5IKL

Crystal structure of P. aeruginosa geranyl-CoA carboxylase (GCC), beta subunit

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X29A
Synchrotron site	NSLS
Beamline	X29A
Temperature [K]	100
Detector technology	CCD
Collection date	2012-10-27
Detector	ADSC QUANTUM 315
Wavelength(s)	1.075
Spacegroup name	P 65 2 2
Unit cell lengths	105.722, 105.722, 550.760
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	47.195 - 2.400
R-factor	0.2184
Rwork	0.215
R-free	0.28190
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.012
RMSD bond angle	1.561
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	REFMAC (5.8.0049)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.490
High resolution limit [Å]	2.400	5.170	2.400
Rmerge	0.084	0.050	0.432
Total number of observations	322453
Number of reflections	71918
<I/σ(I)>	11.7
Completeness [%]	98.6	93.4	99.4
Redundancy	4.5	4.2	4.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	293	0.1M Tris-HCl (pH 8.0), 60% (v/v) MPD