4QGW
Crystal sturcture of the R132K:R111L:L121D mutant of Cellular Retinoic Acid Binding ProteinII complexed with a synthetic ligand (Merocyanine) at 1.77 angstrom resolution
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-F |
| Synchrotron site | APS |
| Beamline | 21-ID-F |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2014-02-08 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.9787 |
| Spacegroup name | P 1 |
| Unit cell lengths | 34.711, 37.457, 60.066 |
| Unit cell angles | 105.49, 105.56, 90.56 |
Refinement procedure
| Resolution | 35.957 - 1.770 |
| R-factor | 0.1952 |
| Rwork | 0.193 |
| R-free | 0.24310 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.254 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | MOLREP |
| Refinement software | PHENIX ((phenix.refine: 1.7.2_869)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.800 |
| High resolution limit [Å] | 1.770 | 1.770 |
| Rmerge | 0.045 | 0.334 |
| Number of reflections | 27236 | |
| <I/σ(I)> | 33.6 | 3.5 |
| Completeness [%] | 97.6 | 95.5 |
| Redundancy | 4 | 3.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 277 | 0.1M Bis Tris Propane, 0.2M Sodium Floride, 16% PEG3350, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
