6O0L

crystal structure of BCL-2 G101V mutation with venetoclax

Experimental procedure

実験手法	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX2
Synchrotron site	Australian Synchrotron
Beamline	MX2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-07-25
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9537
Spacegroup name	P 1 21 1
格子定数 [Å]	33.147, 82.005, 47.508
格子定数 [度]	90.00, 90.08, 90.00

精密化法

残基	47.508 - 2.200
R因子	0.197
Rwork	0.195
R-free	0.22680
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6o0g
結合長の平均二乗偏差(RMSD) [Å]	0.003
結合角の平均二乗偏差(RMSD) [度]	0.589
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.14_3260)

Quality characteristics

	Overall	Outer shell
分解能 [Å] (低)	47.510	2.280
分解能 [Å] (高)	2.200	2.200
Rmeas	0.143
独立反射数	12909	1270
<I/σ(I)>	7.6	1.56
完全性 [%]	99.8	99.53
冗長性	3.8	3.7
CC(1/2)	0.991	0.646

結晶化条件

結晶ID	方法	pH	温度	溶液条件
1	VAPOR DIFFUSION		291	4% PEG4K, 35% PEG400, 0.08M MES pH 6.0