2WI4

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	2002-11-01
Detector	RIGAKU RAXIS IV
Spacegroup name	I 2 2 2
格子定数 [Å]	67.472, 90.063, 99.167
格子定数 [度]	90.00, 90.00, 90.00

精密化法

残基	67.420 - 2.400
R因子	0.23438
Rwork	0.232
R-free	0.28514
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1uy6
結合長の平均二乗偏差(RMSD) [Å]	0.018
結合角の平均二乗偏差(RMSD) [度]	1.927
Data reduction software	d*TREK
Data scaling software	d*TREK
Phasing software	AMoRE
Refinement software	REFMAC (5.5.0066)

Quality characteristics

	Overall	Outer shell
分解能 [Å] (低)	30.000	3.100
分解能 [Å] (高)	2.400	2.400
Rmerge_l_obs	0.060	0.340
独立反射数	12244
<I/σ(I)>	9.3	1.7
完全性 [%]	93.2	92.6
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