4YDA
Crystal structure of R111K:Y134F:T54V:R132Q:P39Q:R59Y mutant of human cellular retinoic acid binding proteinii with retinal at 1.95 angstrom - after 1hour visible light irradiation - 3rd 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 | 58.509, 58.509, 99.688 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 45.170 - 1.951 |
| R-factor | 0.194 |
| Rwork | 0.192 |
| R-free | 0.24050 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2g7b |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.201 |
| 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 | 1.980 |
| High resolution limit [Å] | 1.950 | 1.950 |
| Rmerge | 0.098 | 0.573 |
| Number of reflections | 14966 | |
| <I/σ(I)> | 26.69 | 2 |
| Completeness [%] | 99.4 | 99 |
| Redundancy | 10.4 | 7.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6 | 277 | 12% PEG3350, 8% Tacsimate pH 6.0 |
