1H07

CDK2 in complex with a disubstituted 4, 6-bis anilino pyrimidine CDK4 inhibitor

Experimental procedure

実験手法	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SRS BEAMLINE PX9.6
Synchrotron site	SRS
Beamline	PX9.6
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	1998-05-15
Detector	MARRESEARCH
Spacegroup name	P 21 21 21
格子定数 [Å]	53.323, 71.543, 72.550
格子定数 [度]	90.00, 90.00, 90.00

精密化法

残基	32.350 - 1.850
Rwork	0.210
R-free	0.23500
Structure solution method	MOLECULAR REPLACEMENT
結合長の平均二乗偏差(RMSD) [Å]	0.006
結合角の平均二乗偏差(RMSD) [度]	22.400 *
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	AMoRE
Refinement software	CNX (2000.1)

Quality characteristics

	Overall	Outer shell
分解能 [Å] (低)	32.350	1.950
分解能 [Å] (高)	1.850	1.850
Rmerge_l_obs	0.096	0.191
Total number of observations	53065 *
独立反射数	21455
<I/σ(I)>	10.2	4.7
完全性 [%]	87.7 *	71.6
冗長性	2.5	2.1

結晶化条件

結晶ID	方法	pH	温度	溶液条件
1	unknown *	7		Lawrie, A.M., (1997) Nat.Struct.Biol., 4, 796. *