1XGV

Isocitrate Dehydrogenase from the hyperthermophile Aeropyrum pernix

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	MAX II BEAMLINE I711
Synchrotron site	MAX II
Beamline	I711
Temperature [K]	100
Detector technology	CCD
Collection date	2003-05-24
Detector	MARRESEARCH
Wavelength(s)	0.9089
Spacegroup name	P 43 21 2
Unit cell lengths	107.569, 107.569, 171.143
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.840 - 2.200
R-factor	0.22609
Rwork	0.225
R-free	0.25059
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3icd
RMSD bond length	0.011
RMSD bond angle	1.272
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	REFMAC (5.1.24)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.840	2.240
High resolution limit [Å]	2.200	2.200
Rmerge	0.055	0.497
Number of reflections	51735
<I/σ(I)>	17.97	2.91
Completeness [%]		100
Redundancy	4.7	4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.6	291	PEG 6K, Magnesium chloride, sodium citrate, pH 5.6, VAPOR DIFFUSION, SITTING DROP, temperature 291K