6C7Z
Crystal structure of the Q108K:K40L:T51V:R58F mutant of human Cellular Retinol Binding Protein II in complex with synthetic Ligand Julolidine
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-D |
| Synchrotron site | APS |
| Beamline | 21-ID-D |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-10-25 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 0.9787 |
| Spacegroup name | P 1 |
| Unit cell lengths | 29.787, 35.947, 64.089 |
| Unit cell angles | 90.51, 92.45, 113.31 |
Refinement procedure
| Resolution | 29.003 - 1.420 |
| R-factor | 0.2235 |
| Rwork | 0.222 |
| R-free | 0.25630 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2rct |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.144 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.7.2_869) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.440 |
| High resolution limit [Å] | 1.420 | 1.420 |
| Rmerge | 0.045 | 0.194 |
| Number of reflections | 45939 | 1812 |
| <I/σ(I)> | 42.2 | |
| Completeness [%] | 94.9 | 79.4 |
| Redundancy | 3.5 | 2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.5 | 298 | 30% PEG 4000, 0.1M Ammonium Acetate, 0.1 M Sodium Acetate pH=4.5 |
