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 type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID29 |
Synchrotron site | ESRF |
Beamline | ID29 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2007-10-09 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 1.00 |
Spacegroup name | P 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 |
Rwork | 0.226 |
R-free | 0.28600 |
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] | 1.106 |
Data reduction software | HKL-2000 |
Data scaling software | SCALA |
Phasing software | CNS |
Refinement software | CNS |
Quality characteristics
Overall | Outer shell | |
分解能 [Å] (低) | 50.000 | 2.800 |
分解能 [Å] (高) | 2.700 | 2.700 |
独立反射数 | 10290 | |
<I/σ(I)> | 30.3 | 13.4 |
完全性 [%] | 99.7 | 100 |
冗長性 | 13.4 | 20.5 |
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 |