7E2W

Crystal structure of isocitrate dehydrogenase from Ostreococcus tauri in complex with isocitrate and magnesium(II)

Replaces:  6IXU

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	2015-04-25
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97915
Spacegroup name	P 1
Unit cell lengths	66.250, 78.511, 111.056
Unit cell angles	89.15, 103.59, 111.89

Refinement procedure

Resolution	19.950 - 1.800
R-factor	0.2095
Rwork	0.208
R-free	0.23920
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6ixl
RMSD bond length	0.010
RMSD bond angle	1.519
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	1.900
High resolution limit [Å]	1.800	1.800
Rmerge	0.039
Number of reflections	177015	26019
<I/σ(I)>	14.4
Completeness [%]	94.9
Redundancy	2.2
CC(1/2)	0.998	0.840

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	286	20% PEG 4000, 10% 2-propanol, 0.1 M sodium citrate (pH 5.5).