4YBU
Crystal structure of the R111K:Y134F:T54V:R132Q:P39Q:R59Y mutant of human Cellular Retinoic Acid Binding ProteinII in complex with Retinal after 24 h incubation and 1 hour UV irradiation at 1.92 angstrom - 1st cycle
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 | 2014-02-09 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.9787 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 58.326, 58.326, 99.936 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 45.081 - 1.924 |
| R-factor | 0.1996 |
| Rwork | 0.197 |
| R-free | 0.24450 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2g7b |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.228 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | PHENIX ((phenix.refine: 1.7.2_869)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.950 |
| High resolution limit [Å] | 1.920 | 1.920 |
| Rmerge | 0.083 | 0.405 |
| Number of reflections | 15647 | |
| <I/σ(I)> | 34.86 | 3.65 |
| Completeness [%] | 99.4 | 85 |
| Redundancy | 10.5 | 7.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 6 | 277 | 12% PEG3350, 8% Tacsimate, pH = 6.0 |
