1FCZ
ISOTYPE SELECTIVITY OF THE HUMAN RETINOIC ACID NUCLEAR RECEPTOR HRAR: THE COMPLEX WITH THE PANAGONIST RETINOID BMS181156
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | EMBL/DESY, HAMBURG BEAMLINE BW7B |
Synchrotron site | EMBL/DESY, HAMBURG |
Beamline | BW7B |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 1998-07-12 |
Detector | MARRESEARCH |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 59.884, 59.884, 155.805 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 6.000 - 1.380 |
R-factor | 0.1314 |
Rwork | 0.131 |
R-free | 0.17380 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1fcy |
RMSD bond length | 0.013 |
RMSD bond angle | 2.310 * |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | CNS |
Refinement software | SHELXL-97 |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 1.400 |
High resolution limit [Å] | 1.380 | 1.380 |
Rmerge | 0.048 | 0.350 |
Total number of observations | 299978 * | |
Number of reflections | 59216 | |
<I/σ(I)> | 35.5 | 4.15 |
Completeness [%] | 99.8 | 99.8 |
Redundancy | 5.07 | 4.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 17 * | sodium acetate, pH 7.0, VAPOR DIFFUSION, HANGING DROP at 290K |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | reservoir | PIPES | 0.1 (M) | |
2 | 1 | reservoir | 0.2-1.7 (M) | ||
3 | 1 | drop | protein | 2-5 (mg/ml) | |
4 | 1 | drop | Tris-HCl | 10 (mM) | |
5 | 1 | drop | 1,4-dithio-DL-threitol | 5 (mM) | |
6 | 1 | drop | 500 (mM) | ||
7 | 1 | drop | n-dodecyl-alpha-D-maltoside | 0.15 (mM) | |
8 | 1 | drop | CHAPS | 2 (mM) | |
9 | 1 | drop | glycerol | 4 (%) |