6K5L

The crystal structure of isocitrate dehydrogenase kinase/phosphatase wtih two Mn2+ from E. coli

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U1
Synchrotron site	SSRF
Beamline	BL17U1
Temperature [K]	100
Detector technology	CCD
Collection date	2017-06-06
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.979
Spacegroup name	P 41 21 2
Unit cell lengths	124.484, 124.484, 266.824
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.476 - 2.550
R-factor	0.1926
Rwork	0.192
R-free	0.22100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3lcb
RMSD bond length	0.008
RMSD bond angle	1.047
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHENIX
Refinement software	PHENIX ((1.14_3260: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.590
High resolution limit [Å]	2.550	2.550
Rmerge	0.095
Rmeas	0.102
Rpim		0.559
Number of reflections	100893	4784
<I/σ(I)>	23
Completeness [%]	97.0
Redundancy	7.2
CC(1/2)		0.598

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	0.1M MES pH 6.5, 4% PEG8000, 15% Glycerol, 2mM DTT