4E4N

JAK1 kinase (JH1 domain) in complex with compound 49

Experimental procedure

実験手法	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.2
Synchrotron site	ALS
Beamline	5.0.2
Temperature [K]	100
Detector technology	CCD
Collection date	2010-06-30
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.0
Spacegroup name	P 1 21 1
格子定数 [Å]	42.640, 173.239, 44.799
格子定数 [度]	90.00, 94.22, 90.00

精密化法

分解能	50.000 - 1.900
R因子	0.18325
Rwork	0.181
R-free	0.22567
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2b7a
結合長の平均二乗偏差(RMSD) [Å]	0.010
結合角の平均二乗偏差(RMSD) [度]	1.171
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	REFMAC (5.2.0019)

Quality characteristics

	Overall	Outer shell
分解能 [Å] (低)	50.000	1.980
分解能 [Å] (高)	1.900	1.910
独立反射数	50322
<I/σ(I)>	17	2.2
完全性 [%]	99.6	96.1
冗長性	3.7

結晶化条件

結晶ID	方法	pH	温度	溶液条件
1	VAPOR DIFFUSION, SITTING DROP	5.5	300	PEG 6000, pH 5.5, VAPOR DIFFUSION, SITTING DROP, temperature 300K