5MAF

Crystal structure of MELK in complex with an inhibitor

Experimental procedure

実験手法	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-1
Synchrotron site	ESRF
Beamline	ID23-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-10-04
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.976254
Spacegroup name	P 21 21 21
格子定数 [Å]	59.913, 63.713, 91.292
格子定数 [度]	90.00, 90.00, 90.00

精密化法

残基	52.250 - 2.800
R因子	0.21207
Rwork	0.210
R-free	0.25919
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	In house MELK structure
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]	1.204
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	REFMAC (5.8.0151)

Quality characteristics

	Overall	Outer shell
分解能 [Å] (低)	52.250	2.950
分解能 [Å] (高)	2.800	2.800
Rmerge_l_obs	0.129	0.733
独立反射数	9059
<I/σ(I)>	9.8	2.6
完全性 [%]	99.8	99.8
冗長性	6	6.2
CC(1/2)	0.993	0.774

結晶化条件

結晶ID	方法	pH	温度	溶液条件
1	VAPOR DIFFUSION, HANGING DROP	6.5	293	10-20% PEG 3350 or PEG 4000, 0.1 M BIS TRIS pH 6.5, 0.6M NaCl