8GEV
Crystal structure of human cellular retinol binding protein 1 in complex with 1-{[3-(diphenylmethyl)-1,2,4-oxadiazol-5-yl]methyl}-4-(methoxymethyl)piperidine
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 24-ID-C |
Synchrotron site | APS |
Beamline | 24-ID-C |
Temperature [K] | 80 |
Detector technology | PIXEL |
Collection date | 2020-06-22 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 0.9791 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 37.303, 38.665, 93.704 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 46.850 - 1.850 |
R-factor | 0.1885 |
Rwork | 0.186 |
R-free | 0.23290 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6e5l |
RMSD bond length | 0.018 |
RMSD bond angle | 1.522 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX (1.18.2_3874) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 93.700 | 1.890 |
High resolution limit [Å] | 1.850 | 1.850 |
Rmerge | 0.143 | 0.958 |
Rmeas | 0.174 | 1.095 |
Rpim | 0.105 | 0.475 |
Number of reflections | 22016 | 698 |
<I/σ(I)> | 7.7 | 2.5 |
Completeness [%] | 99.7 | 99.8 |
Redundancy | 4.9 | |
CC(1/2) | 0.990 | 0.552 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 293 | 0.1 M Bis-Tris, pH 5.5 and 25% poly ethylene glycol 3350 (w/v) |