4F2X

Structure of 3'-Fluoro Cyclohexenyl Nucleic Acid Heptamer

Experimental procedure

実験手法	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-F
Synchrotron site	APS
Beamline	21-ID-F
Temperature [K]	100
Detector technology	CCD
Collection date	2012-02-07
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.9787
Spacegroup name	P 21 21 21
格子定数 [Å]	26.700, 33.862, 80.165
格子定数 [度]	90.00, 90.00, 90.00

精密化法

残基	40.080 - 1.570
Rwork	0.185
R-free	0.25100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3fl6
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]	1.823
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC (5.6.0117)

Quality characteristics

	Overall	Outer shell
分解能 [Å] (低)	40.080	1.630
分解能 [Å] (高)	1.570	1.570
Rmerge_l_obs	0.063	0.590
独立反射数	10592
<I/σ(I)>	38.6	3.63
完全性 [%]	99.6	99.3
冗長性	7.7	7.5

結晶化条件

結晶ID	方法	pH	温度	溶液条件
1	VAPOR DIFFUSION, HANGING DROP	5.5	291	40 mM sodium cacodylate, 20 mM cobalt hexamine, 20 mM magnesium chloride, 10% v/v MPD, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K