6B0Z

IDH1 R132H mutant in complex with IDH305

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	2013-06-19
Detector	DECTRIS PILATUS3 X 6M
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	81.495, 155.312, 163.054
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.704 - 2.334
R-factor	0.1912
Rwork	0.189
R-free	0.23520
RMSD bond length	0.003
RMSD bond angle	0.708
Data scaling software	autoPROC
Phasing software	PHASER
Refinement software	PHENIX (1.12_2829)

Data quality characteristics

	Overall
Low resolution limit [Å]	163.054
High resolution limit [Å]	2.334
Number of reflections	584723
<I/σ(I)>	15
Completeness [%]	100.0
Redundancy	6.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	294	co-crystallization of protein (20-24mG/mL) /compound complex at 1/1.5 molar ratio; reservoir solution: 1.5-1.8M Tri Ammonium Citrate, 0.1M Bis-Tris pH6.5