9BCB
Crystal structure of human cellular retinol binding protein 3 in complex with C11 TopFluor MG
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 24-ID-E |
| Synchrotron site | APS |
| Beamline | 24-ID-E |
| Temperature [K] | 85 |
| Detector technology | PIXEL |
| Collection date | 2017-03-17 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.9792 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 41.213, 46.257, 71.530 |
| Unit cell angles | 90.00, 92.10, 90.00 |
Refinement procedure
| Resolution | 19.600 - 1.450 |
| R-factor | 0.1885 |
| Rwork | 0.187 |
| R-free | 0.22210 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.121 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | BALBES |
| Refinement software | PHENIX ((1.18.2_3874: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 19.600 | 1.470 |
| High resolution limit [Å] | 1.450 | 1.450 |
| Rmerge | 0.043 | 0.545 |
| Rmeas | 0.059 | 0.764 |
| Rpim | 0.032 | 0.535 |
| Number of reflections | 47122 | 2330 |
| <I/σ(I)> | 12.2 | 1.7 |
| Completeness [%] | 98.5 | 98.3 |
| Redundancy | 3.3 | 3.2 |
| CC(1/2) | 0.999 | 0.807 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5 | 293 | 0.2 M sodium malonate, pH 5.0 and 20% PEG 3350 (w/v) |
