2VKM

Crystal structure of GRL-8234 bound to BACE (Beta-secretase)

Experimental procedure

実験手法	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2005-01-30
Detector	MARRESEARCH
Spacegroup name	P 1 21 1
格子定数 [Å]	86.704, 130.308, 87.711
格子定数 [度]	90.00, 97.41, 90.00

精密化法

残基	50.000 - 2.050
R因子	0.2016
Rwork	0.202
R-free	0.24180
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1fkn
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]	1.600
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNS (1.0)

Quality characteristics

	Overall	Outer shell
分解能 [Å] (低)	50.000	2.120
分解能 [Å] (高)	2.050	2.010
Rmerge_l_obs	0.070	0.390
独立反射数	119992
<I/σ(I)>	17	2.7
完全性 [%]	99.0	95
冗長性	3.9	2.5

結晶化条件

結晶ID	方法	pH	温度	溶液条件
1		6.5		12% PEG 8000, NACACODYLATE BUFFER, PH 6.5. 15MG/ML PROTEIN CONCENTRATION. ROOM TEMPERATURE.