5YFN

Human isocitrate dehydrogenase 1 bound with isocitrate

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	I 1 2 1
Unit cell lengths	111.560, 92.000, 138.835
Unit cell angles	90.00, 109.94, 90.00

Refinement procedure

Resolution	41.800 - 2.500
R-factor	0.176
Rwork	0.173
R-free	0.22600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1t09
RMSD bond length	0.017
RMSD bond angle	1.847
Data reduction software	XDS
Data scaling software	SCALA (3.3.20)
Phasing software	PHASER
Refinement software	REFMAC (5.8.0158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	41.798	2.640
High resolution limit [Å]	2.500	2.500
Rmerge		0.325
Rmeas	0.087	0.035
Rpim	0.045	0.018
Total number of observations	166901	5553
Number of reflections	45512	1502
<I/σ(I)>	12.7	31.9
Completeness [%]	99.5	99.3
Redundancy	3.7	3.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298	0.1M HEPES sodium pH7.5, 0.8 M sodium phosphate, 0.8 M potassium phosphate