7CXI

The ligand-free structure of human PPARgamma LBD F287Y mutant in the presence of the SRC-1 coactivator peptide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 5C (4A)
Synchrotron site	PAL/PLS
Beamline	5C (4A)
Temperature [K]	100
Detector technology	CCD
Collection date	2017-11-14
Detector	ADSC QUANTUM 270
Wavelength(s)	0.97934
Spacegroup name	P 21 21 2
Unit cell lengths	130.748, 52.377, 53.973
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.668 - 2.300
Rwork	0.243
R-free	0.27610
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5gtp
RMSD bond length	0.005
RMSD bond angle	1.306
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.340
High resolution limit [Å]	2.300	2.300
Rmerge	0.054	0.660
Number of reflections	17093	839
<I/σ(I)>	31.8	3.06
Completeness [%]	99.6	100
Redundancy	7.7	7.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	295	2.2 M sodium malonate (pH 7.0)