7CXK

The ligand-free structure of human PPARgamma LBD R288H mutant in the presence of the SRC-1 coactivator peptide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 7A (6B, 6C1)
Synchrotron site	PAL/PLS
Beamline	7A (6B, 6C1)
Temperature [K]	100
Detector technology	CCD
Collection date	2017-07-30
Detector	ADSC QUANTUM 270
Wavelength(s)	0.9793
Spacegroup name	P 21 21 2
Unit cell lengths	130.396, 51.997, 54.052
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.041 - 2.200
Rwork	0.237
R-free	0.26360
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5gtp
RMSD bond length	0.009
RMSD bond angle	1.365
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	2.240
High resolution limit [Å]	2.200	2.200
Rmerge	0.073	0.646
Number of reflections	19382	963
<I/σ(I)>	31.63	4.31
Completeness [%]	99.7	100
Redundancy	9.8	10.1
CC(1/2)	0.995	0.920

Crystallization Conditions

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