4KZO

Crystal Structure Analysis of human IDH1 mutants in complex with NADP+ and Ca2+/alpha-Ketoglutarate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-D
Synchrotron site	APS
Beamline	21-ID-D
Temperature [K]	100
Detector technology	CCD
Detector	RAYONIX MX-300
Wavelength(s)	0.9786
Spacegroup name	C 2 2 21
Unit cell lengths	96.360, 274.598, 115.990
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.766 - 2.204
R-factor	0.1803
Rwork	0.178
R-free	0.22120
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	0.830
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.8_1069)

Data quality characteristics

	Overall
Low resolution limit [Å]	50.000
High resolution limit [Å]	2.204
Rmerge	0.077
Number of reflections	77612
Redundancy	6.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	6.9	298	16-20% PEG MME 2000, 100mM MES, pH 6.9, vapor diffusion, temperature 298K