5Z72

Crystal structure of CcpC regulatory domain in complex with citrate from Bacillus amyloliquefaciens

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 7A (6B, 6C1)
Synchrotron site	PAL/PLS
Beamline	7A (6B, 6C1)
Temperature [K]	100
Detector technology	CCD
Collection date	2017-11-15
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9826
Spacegroup name	C 1 2 1
Unit cell lengths	140.963, 90.898, 105.531
Unit cell angles	90.00, 106.18, 90.00

Refinement procedure

Resolution	29.712 - 2.400
R-factor	0.1875
Rwork	0.185
R-free	0.25520
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.016
RMSD bond angle	1.616
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX (1.8.4_1496)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.340
High resolution limit [Å]	2.300	2.300
Number of reflections	55746	2427
<I/σ(I)>	36.2	2.64
Completeness [%]	96.5	84.1
Redundancy	5.3	2.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	287	10% PEG 6000 5% MPD 0.1 M HEPES (pH7.5)