4O4I

Tubulin-Laulimalide-Epothilone A complex

Experimental procedure

実験手法	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06DA
Synchrotron site	SLS
Beamline	X06DA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2013-02-10
Detector	PSI PILATUS 2M
Spacegroup name	P 21 21 21
格子定数 [Å]	105.200, 158.030, 180.400
格子定数 [度]	90.00, 90.00, 90.00

精密化法

残基	52.206 - 2.400
R因子	0.1896
Rwork	0.188
R-free	0.21440
Structure solution method	DIFFERENCE FOURIER
Starting model (for MR)	4o4h
結合長の平均二乗偏差(RMSD) [Å]	0.007
結合角の平均二乗偏差(RMSD) [度]	1.267
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHENIX
Refinement software	PHENIX ((phenix.refine: 1.8.2_1309))

Quality characteristics

	Overall	Outer shell
分解能 [Å] (低)	52.200	2.460
分解能 [Å] (高)	2.400	2.400
Rmerge_l_obs	0.136	2.253
独立反射数	117491
<I/σ(I)>	18.5	1.3
完全性 [%]	99.7	98.9
冗長性	13.4	12.7

結晶化条件

結晶ID	方法	pH	温度	溶液条件
1		6.7	293	6% PEG, 16% glycerol, 30 mM magnesium chloride, 30 mM calcium chloride, 0.1M MES/0.1M imidazole, pH 6.7, VAPOR DIFFUSION, SITTING DROP, temperature 293K