4QEN

crystal structure of KRYPTONITE in complex with mCHH DNA and SAH

Experimental procedure

実験手法	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X29A
Synchrotron site	NSLS
Beamline	X29A
Temperature [K]	100
Detector technology	CCD
Collection date	2013-01-24
Detector	ADSC QUANTUM 315
Wavelength(s)	1.2830
Spacegroup name	P 21 21 21
格子定数 [Å]	54.395, 98.009, 122.581
格子定数 [度]	90.00, 90.00, 90.00

精密化法

残基	40.683 - 2.002
R因子	0.1777
Rwork	0.176
R-free	0.21110
Structure solution method	SAD
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]	1.410
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX ((phenix.refine: 1.8.1_1168))

Quality characteristics

	Overall	Outer shell
分解能 [Å] (低)	50.000	2.070
分解能 [Å] (高)	2.000	2.000
Rmerge_l_obs	0.067	0.610
独立反射数	44950
<I/σ(I)>	48.1	3.7
完全性 [%]	99.9	100
冗長性	13.6	12.7

結晶化条件

結晶ID	方法	pH	温度	溶液条件
1	VAPOR DIFFUSION, HANGING DROP	6	293	30% PEG200, 5% PEG3000, and 0.1 M MES, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K