4RFR

Complex structure of AlkB/rhein

Experimental procedure

実験手法	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U
Synchrotron site	SSRF
Beamline	BL17U
Temperature [K]	100
Detector technology	CCD
Collection date	2013-01-19
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9735
Spacegroup name	P 1
格子定数 [Å]	36.950, 39.200, 40.521
格子定数 [度]	77.37, 74.67, 65.47

精密化法

残基	30.000 - 1.500
R因子	0.11919
Rwork	0.118
R-free	0.15021
Structure solution method	MOLECULAR REPLACEMENT
結合長の平均二乗偏差(RMSD) [Å]	0.006
結合角の平均二乗偏差(RMSD) [度]	1.176
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASES
Refinement software	REFMAC (5.7.0029)

Quality characteristics

	Overall	Outer shell
分解能 [Å] (低)	50.000	1.550
分解能 [Å] (高)	1.500	1.500
独立反射数	30221
完全性 [%]	95.5	94.6

結晶化条件

結晶ID	方法	pH	温度	溶液条件
1	VAPOR DIFFUSION, HANGING DROP	7.5	297	0.2 M ammonium sulfate, 0.1 M HEPES, 25% PEG 3350, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 297K