7CXF

The ligand-free structure of human PPARgamma LBD C285Y 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)	0.97940
Spacegroup name	P 21 21 2
Unit cell lengths	130.730, 51.936, 54.133
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.313 - 2.350
Rwork	0.229
R-free	0.26930
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5gtp
RMSD bond length	0.004
RMSD bond angle	1.269
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	2.390
High resolution limit [Å]	2.350	2.350
Rmerge	0.053	0.584
Number of reflections	16225	778
<I/σ(I)>	28.21	2.64
Completeness [%]	99.0	97.9
Redundancy	5.7	5.8
CC(1/2)	1.000	0.874

Crystallization Conditions

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