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3DR1

Side-chain fluorine atoms of non-steroidal vitamin D3 analogs stabilize helix 12 of vitamin D receptor

Experimental procedure
実験手法SINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsESRF BEAMLINE ID29
Synchrotron siteESRF
BeamlineID29
Temperature [K]100
Detector technologyCCD
Collection date2007-10-09
DetectorADSC QUANTUM 315
Wavelength(s)1.00
Spacegroup nameP 65 2 2
格子定数 [Å]66.100, 66.100, 265.600
格子定数 [度]90.00, 90.00, 120.00
精密化法
残基50.000 - 2.700
Rwork0.226
R-free0.28600
Structure solution methodMOLECULAR 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]1.106
Data reduction softwareHKL-2000
Data scaling softwareSCALA
Phasing softwareCNS
Refinement softwareCNS
Quality characteristics
 OverallOuter shell
分解能 [Å] (低)50.0002.800
分解能 [Å] (高)2.7002.700
独立反射数10290
<I/σ(I)>30.313.4
完全性 [%]99.7100
冗長性13.420.5
結晶化条件
結晶ID方法pH温度溶液条件
1VAPOR DIFFUSION, HANGING DROP6.5298Li sulfate 1.6M, Mg sulfate 50mM, Bis Tris 0.1M , pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K

217705

件を2024-03-27に公開中

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