4G1Y

Structural basis for the accommodation of bis- and tris-aromatic derivatives in Vitamin D Nuclear Receptor

Experimental procedure

実験手法	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X10SA
Synchrotron site	SLS
Beamline	X10SA
Temperature [K]	100
Detector technology	CCD
Collection date	2004
Detector	ADSC QUANTUM 4r
Spacegroup name	P 65 2 2
格子定数 [Å]	65.559, 65.559, 263.876
格子定数 [度]	90.00, 90.00, 120.00

精密化法

残基	20.000 - 2.850
R因子	0.212
Rwork	0.212
R-free	0.27000
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]	1.110
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	CNS
Refinement software	CNS

Quality characteristics

	Overall	Outer shell
分解能 [Å] (低)	20.000	2.940
分解能 [Å] (高)	2.850	2.850
独立反射数	8269
完全性 [%]	99.8	98.9

結晶化条件

結晶ID	方法	pH	温度	溶液条件
1	VAPOR DIFFUSION, HANGING DROP	6.5	295	Bis-Tris 0.1 M, lithium sulfate 1.6 M and magnesium sulfate 50 mM, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 295K