1Y91

Crystal structure of human CDK2 complexed with a pyrazolo[1,5-a]pyrimidine inhibitor

Experimental procedure

実験手法	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RUH3R
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2003-07-09
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
格子定数 [Å]	53.372, 71.423, 72.004
格子定数 [度]	90.00, 90.00, 90.00

精密化法

残基	25.000 - 2.150
R因子	0.2009
Rwork	0.196
R-free	0.29511
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1b39
結合長の平均二乗偏差(RMSD) [Å]	0.022
結合角の平均二乗偏差(RMSD) [度]	2.076
Data reduction software	CrystalClear ((MSC/RIGAKU))
Data scaling software	d*TREK
Phasing software	MOLREP
Refinement software	REFMAC (5.1.19)

Quality characteristics

	Overall	Outer shell
分解能 [Å] (低)	30.000	1.860
分解能 [Å] (高)	1.800	1.800
Rmerge_l_obs	0.085	0.380
独立反射数	24371
<I/σ(I)>	7.8	2.2
完全性 [%]	92.9	64.2
冗長性	2.65	1.92

結晶化条件

結晶ID	方法	pH	温度	溶液条件
1	VAPOR DIFFUSION, HANGING DROP	7.2	293	Peg 3350, Hepes, Ammonium acetate, pH 7.2, VAPOR DIFFUSION, HANGING DROP, temperature 293K