5SUN

IDH1 R132H in complex with IDH146

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 17-ID
Synchrotron site	APS
Beamline	17-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2011-06-08
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	1.0
Spacegroup name	P 43 21 2
Unit cell lengths	82.563, 82.563, 302.550
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	63.880 - 2.477
R-factor	0.1919
Rwork	0.190
R-free	0.22130
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	0.662
Data reduction software	XDS
Data scaling software	SCALA (3.3.16)
Phasing software	PHENIX
Refinement software	PHENIX (1.10_2155)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	72.472	72.470	2.610
High resolution limit [Å]	2.477	7.830	2.480
Rmerge		0.023	0.571
Number of reflections	38566
<I/σ(I)>	28.2	24.6	1.3
Completeness [%]	100.0	99.7	100
Redundancy	12.6	10.9	12.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	EVAPORATION	7.5	293	27% PEG3350, 0.22M lithium sulfate