6O8C

Crystal structure of STING CTT in complex with TBK1

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]	120
Detector technology	PIXEL
Collection date	2017-04-15
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.0
Spacegroup name	P 65 2 2
格子定数 [Å]	249.510, 249.510, 243.783
格子定数 [度]	90.00, 90.00, 120.00

精密化法

残基	81.671 - 3.170
R因子	0.2143
Rwork	0.213
R-free	0.23050
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4jlc
結合長の平均二乗偏差(RMSD) [Å]	0.012
結合角の平均二乗偏差(RMSD) [度]	1.086
Data reduction software	iMOSFLM
Data scaling software	pointless
Phasing software	PHENIX
Refinement software	PHENIX ((1.13_2998: ???))

Quality characteristics

	Overall	Outer shell
分解能 [Å] (低)	81.671	3.240
分解能 [Å] (高)	3.170	3.170
Rmerge_l_obs	0.184	2.700
Rpim	0.054	0.850
独立反射数	76001	4418
<I/σ(I)>	13.8
完全性 [%]	100.0	100
冗長性	12.3	11.3

結晶化条件

結晶ID	方法	pH	温度	溶液条件
1	VAPOR DIFFUSION, HANGING DROP	7	277	18% v/v tacsimate pH 7.0, 0.1 M HEPES pH 7.0, 2% PEG3350