5YFM

Human isocitrate dehydrogenase 1 bound with NADP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX2
Synchrotron site	Australian Synchrotron
Beamline	MX2
Temperature [K]	100
Detector technology	CCD
Collection date	2012-06-29
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.95400
Spacegroup name	C 1 2 1
Unit cell lengths	203.020, 85.580, 86.070
Unit cell angles	90.00, 98.08, 90.00

Refinement procedure

Resolution	100.500 - 2.400
R-factor	0.1767
Rwork	0.173
R-free	0.23940
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1t09
RMSD bond length	0.014
RMSD bond angle	1.745
Data reduction software	XDS
Data scaling software	SCALA (3.3.20)
Phasing software	PHASER
Refinement software	REFMAC (5.8.0158)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	100.500	41.374	2.530
High resolution limit [Å]	2.400	7.590	2.400
Rmerge		0.029	0.420
Rmeas	0.126	0.034	0.497
Rpim	0.066	0.017	0.264
Number of reflections	56672	1885	8069
<I/σ(I)>	9.3	20.5	1.8
Completeness [%]	99.0	99.2	97.3
Redundancy	3.5	3.6	3.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	298	0.2 M Magnesium Chloride, 0.1 M Tris pH 8.5, 20% PEG 8000