4L3L

Crystal structures of human p70S6K1 kinase domain (Zinc anomalous)

Experimental procedure

実験手法	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U
Synchrotron site	SSRF
Beamline	BL17U
Temperature [K]	100
Detector technology	CCD
Collection date	2012-05-20
Detector	CCD ADSC unsupported-q315
Wavelength(s)	1.2826
Spacegroup name	P 41 21 2
格子定数 [Å]	69.408, 69.408, 143.378
格子定数 [度]	90.00, 90.00, 90.00

精密化法

残基	46.480 - 2.100
R因子	0.2085
Rwork	0.206
R-free	0.24670
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3a62
結合長の平均二乗偏差(RMSD) [Å]	0.009
結合角の平均二乗偏差(RMSD) [度]	1.236
Data reduction software	DENZO
Data scaling software	SCALEPACK
Refinement software	REFMAC (5.7.0029)

Quality characteristics

	Overall	Inner shell	Outer shell
分解能 [Å] (低)	50.000	50.000	2.180
分解能 [Å] (高)	2.100	4.520	2.100
Rmerge_l_obs	0.121	0.080	0.430
独立反射数	20480
<I/σ(I)>	12.2
完全性 [%]	96.3	84.5	100
冗長性	8.9	7.3	9.4

結晶化条件

結晶ID	方法	pH	温度	溶液条件
1	VAPOR DIFFUSION, HANGING DROP	7.5	289	2.5M sodium formate, 0.1M HEPES, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 289K