6A6P

Crystal Structure of Peroxisome Proliferator-Activated Receptor Delta (PPARd)LBD in Complex with DN003316

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	2018-06-18
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97960
Spacegroup name	P 1 21 1
Unit cell lengths	39.605, 95.749, 96.936
Unit cell angles	90.00, 97.91, 90.00

Refinement procedure

Resolution	38.201 - 2.100
R-factor	0.1953
Rwork	0.194
R-free	0.22780
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5u3r
RMSD bond length	0.008
RMSD bond angle	0.994
Data scaling software	HKL-2000
Refinement software	PHENIX ((1.13_2998))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.140
High resolution limit [Å]	2.100	2.100
Rmerge	0.102
Number of reflections	41153
<I/σ(I)>	19.01
Completeness [%]	98.3
Redundancy	5.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	LIQUID DIFFUSION	6.5	291.15	0.2~0.3M Sodium flouride, 0.1M MES(pH 6.5)