1RSI

DHNA complex with 2-Amino-5-bromo-3-hydroxy-6-phenylpyrimidine

Experimental procedure

実験手法	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	100
Detector technology	CCD
Detector	MARRESEARCH
Wavelength(s)	1.54
Spacegroup name	I 4 2 2
格子定数 [Å]	60.947, 60.947, 123.689
格子定数 [度]	90.00, 90.00, 90.00

精密化法

残基	34.150 - 2.200
Rwork	0.276
R-free	0.33900
Structure solution method	FOURIER SYNTHESIS
結合長の平均二乗偏差(RMSD) [Å]	0.008
結合角の平均二乗偏差(RMSD) [度]	1.300
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	X-PLOR
Refinement software	CNX (2000)

Quality characteristics

	Overall	Outer shell
分解能 [Å] (低)	34.150	2.340
分解能 [Å] (高)	2.200	2.200
独立反射数	5864
完全性 [%]	93.7	87.9

結晶化条件

結晶ID	方法	pH	温度	溶液条件
1	VAPOR DIFFUSION, HANGING DROP	5.6	289	0.2 M Ammonium Acetate, 0.1 M tri-sodium citrate, 30% MPD, VAPOR DIFFUSION, HANGING DROP, temperature 289K, pH 5.6