2WI3

Orally Active 2-Amino Thienopyrimidine Inhibitors of the Hsp90 Chaperone

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	2002-09-10
Detector	RIGAKU RAXIS IV
Spacegroup name	I 2 2 2
格子定数 [Å]	65.682, 89.172, 99.783
格子定数 [度]	90.00, 90.00, 90.00

精密化法

残基	65.940 - 1.900
R因子	0.19992
Rwork	0.198
R-free	0.24248
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1uy6
結合長の平均二乗偏差(RMSD) [Å]	0.028
結合角の平均二乗偏差(RMSD) [度]	2.215
Data reduction software	d*TREK
Phasing software	AMoRE
Refinement software	REFMAC (5.5.0066)

Quality characteristics

	Overall	Outer shell
分解能 [Å] (低)	30.000	2.250
分解能 [Å] (高)	1.900	1.900
Rmerge_l_obs	0.020	0.180
独立反射数	21769
<I/σ(I)>	21.2	3.2
完全性 [%]	92.8	64
冗長性	2

結晶化条件

結晶ID	方法	pH	温度	溶液条件
1		6.5		pH 6.5