3Q52

Structure of phosphorylated PAK1 kinase domain

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	2009-04-25
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.9998
Spacegroup name	C 2 2 21
格子定数 [Å]	52.621, 103.054, 122.596
格子定数 [度]	90.00, 90.00, 90.00

精密化法

残基	30.649 - 1.801
R因子	0.1889
Rwork	0.188
R-free	0.21380
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1yhw
結合長の平均二乗偏差(RMSD) [Å]	0.014
結合角の平均二乗偏差(RMSD) [度]	1.272
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine))

Quality characteristics

	Overall	Outer shell
分解能 [Å] (低)	50.000	1.830
分解能 [Å] (高)	1.800	1.800
Rmerge_l_obs	0.105	0.525
独立反射数	31131
<I/σ(I)>		2.43
完全性 [%]	99.9	100
冗長性	3.9	3.9

結晶化条件

結晶ID	方法	pH	温度	溶液条件
1	VAPOR DIFFUSION, HANGING DROP	7	294	25% PEG 3350, 0.2M Na/K Tartrate, 0.1M NDSB256, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 294K