8JFF

Crystal structure of Catabolite repressor acivator from E. coli in complex with HEPES

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-2
Synchrotron site	ESRF
Beamline	ID23-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-09-01
Detector	DECTRIS PILATUS 300K
Wavelength(s)	0.873
Spacegroup name	P 2 21 21
Unit cell lengths	43.330, 108.900, 123.930
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	54.510 - 2.890
R-factor	0.22678
Rwork	0.224
R-free	0.28270
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.746
Data reduction software	autoPROC
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0419)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	108.900	3.060
High resolution limit [Å]	2.890	2.890
Rmerge	0.046	0.341
Rpim	0.046	0.341
Number of reflections	12352	2133
<I/σ(I)>	12.5
Completeness [%]	90.1
Redundancy	1.8
CC(1/2)	0.997	0.883

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		293	HEPES, MgCl2, PEG 4000