4YKM
Crystal structure of the R111K:Y134F:T54V:R132Q:P39Q:R59Y:A32W:F3Q mutant of human Cellular Retinoic Acid Binding Protein II with Retinal at 1.58 angstrom resolution
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 | 2013-10-12 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 1.0781 |
| Spacegroup name | P 1 |
| Unit cell lengths | 36.692, 39.296, 58.431 |
| Unit cell angles | 87.15, 80.00, 70.54 |
Refinement procedure
| Resolution | 31.758 - 1.580 |
| R-factor | 0.1837 |
| Rwork | 0.182 |
| R-free | 0.21620 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2g7b |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.129 |
| 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 | 1.610 |
| High resolution limit [Å] | 1.580 | 1.580 |
| Rmerge | 0.064 | 0.461 |
| Number of reflections | 41716 | |
| <I/σ(I)> | 31.2 | 2.6 |
| Completeness [%] | 95.9 | 88.4 |
| Redundancy | 3.9 | 3.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 277 | 20% PEG3350, 0.1M Bis Tris Propane pH=6.0, 0.2M Sodium Floride |
