7CXL

The ligand-free structure of human PPARgamma LBD S289C 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	2018-07-23
Detector	ADSC QUANTUM 270
Wavelength(s)	0.97934
Spacegroup name	P 21 21 2
Unit cell lengths	130.867, 53.163, 53.682
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.002 - 2.700
Rwork	0.238
R-free	0.25500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5gtp
RMSD bond length	0.010
RMSD bond angle	1.305
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	2.750
High resolution limit [Å]	2.700	2.700
Rmerge	0.080	0.608
Number of reflections	10850	505
<I/σ(I)>	25.16	4
Completeness [%]	100.0	100
Redundancy	7.8	8.2
CC(1/2)	0.994	0.880

Crystallization Conditions

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