2HBH

Crystal structure of Vitamin D nuclear receptor ligand binding domain bound to a locked side-chain analog of calcitriol and SRC-1 peptide

Experimental procedure

実験手法	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-3
Synchrotron site	ESRF
Beamline	ID14-3
Temperature [K]	100
Detector technology	CCD
Collection date	2003-10-12
Detector	MAR CCD 165 mm
Wavelength(s)	0.931
Spacegroup name	P 65 2 2
格子定数 [Å]	65.682, 65.682, 265.096
格子定数 [度]	90.00, 90.00, 120.00

精密化法

残基	20.000 - 2.650
R因子	0.206
Rwork	0.203
R-free	0.26100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2hc4
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]	1.120
Data scaling software	HKL-2000
Phasing software	CNS
Refinement software	CNS

Quality characteristics

	Overall	Outer shell
分解能 [Å] (低)	20.000	2.740
分解能 [Å] (高)	2.600	2.650
独立反射数	10531
完全性 [%]	98.6	98.4

結晶化条件

結晶ID	方法	pH	温度	溶液条件
1	VAPOR DIFFUSION, HANGING DROP	6.5	298	Li sulfate 1.6M, Mg sulfate 50mM, Bis Tris 0.1M, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K