7CXJ

The ligand-free structure of human PPARgamma LBD R288C 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	2017-12-26
Detector	ADSC QUANTUM 270
Wavelength(s)	0.97934
Spacegroup name	P 21 21 2
Unit cell lengths	131.248, 52.878, 53.887
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.095 - 2.650
Rwork	0.239
R-free	0.27530
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5gtp
RMSD bond length	0.006
RMSD bond angle	1.244
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	2.700
High resolution limit [Å]	2.650	2.650
Rmerge	0.069	0.759
Number of reflections	11616	571
<I/σ(I)>	28.03
Completeness [%]	99.6
Redundancy	7.7
CC(1/2)		0.873

Crystallization Conditions

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