6DGR

Crystal Structure of Human PPARgamma Ligand Binding Domain in Complex with CAY10638

Experimental procedure

実験手法	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.2
Synchrotron site	ALS
Beamline	5.0.2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-04-08
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.97741
Spacegroup name	C 1 2 1
格子定数 [Å]	92.861, 60.600, 117.660
格子定数 [度]	90.00, 103.14, 90.00

精密化法

残基	50.340 - 2.150
R因子	0.2187
Rwork	0.216
R-free	0.26390
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1prg
結合長の平均二乗偏差(RMSD) [Å]	0.008
結合角の平均二乗偏差(RMSD) [度]	1.036
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX ((1.11.1_2575: ???))

Quality characteristics

	Overall	Outer shell
分解能 [Å] (低)	50.340	2.227
分解能 [Å] (高)	2.150	2.150
独立反射数	33678	3226
<I/σ(I)>	5.84	1.34
完全性 [%]	96.4	92.89
冗長性	1.7	1.7
CC(1/2)	0.995	0.805

結晶化条件

結晶ID	方法	pH	温度	溶液条件
1	VAPOR DIFFUSION, SITTING DROP		293	0.8M SODIUM CITRATE, 100mM TRIS, pH 7.6