6QFT

Structure of the mitogen activated kinase kinase 7 in complex with pyrazolopyrimidin 1b

Experimental procedure

実験手法	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X10SA
Synchrotron site	SLS
Beamline	X10SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2014-08-12
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.5
Spacegroup name	P 21 21 21
格子定数 [Å]	60.400, 67.100, 85.000
格子定数 [度]	90.00, 90.00, 90.00

精密化法

残基	49.235 - 2.700
R因子	0.2396
Rwork	0.236
R-free	0.28690
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2dyl
結合長の平均二乗偏差(RMSD) [Å]	0.002
結合角の平均二乗偏差(RMSD) [度]	0.656
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX ((1.15.2_3472: ???))

Quality characteristics

	Overall	Outer shell
分解能 [Å] (低)	49.235	2.800
分解能 [Å] (高)	2.700	2.700
Rmeas	0.096	0.953
独立反射数	9940	997
<I/σ(I)>	16.5	2.15
完全性 [%]	100.0	100
冗長性	6.3	6.5
CC(1/2)	0.999	0.885

結晶化条件

結晶ID	方法	pH	温度	溶液条件
1	VAPOR DIFFUSION, HANGING DROP		277	0.2 M Sodiumcitrate 20% PEG3350