6KTN

Human PPARgamma ligand-binding domain R288A mutant in complex with imatinib

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE AR-NE3A
Synchrotron site	Photon Factory
Beamline	AR-NE3A
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-05-26
Detector	DECTRIS PILATUS 2M-F
Wavelength(s)	1.0
Spacegroup name	P 21 21 2
Unit cell lengths	130.928, 52.779, 53.438
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.002 - 2.752
Rwork	0.221
R-free	0.25630
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6jq7
RMSD bond length	0.007
RMSD bond angle	1.389
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0253)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.800
High resolution limit [Å]	2.750	2.750
Rmerge	0.059	0.679
Number of reflections	10176	507
<I/σ(I)>	30.1
Completeness [%]	99.9	99.6
Redundancy	6.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	296	2.2 M sodium malonate (pH 7.0)