8GDM
Crystal structure of human cellular retinol binding protein 1 in complex with {[3-(diphenylmethyl)-1,2,4-oxadiazol-5-yl]methyl}(methyl)[1-(thiophen-2-yl)ethyl]amine
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] | 80 |
Detector technology | PIXEL |
Collection date | 2021-07-02 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.9792 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 37.349, 39.015, 94.027 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 36.040 - 1.800 |
R-factor | 0.185 |
Rwork | 0.183 |
R-free | 0.21340 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6e5l |
RMSD bond length | 0.005 |
RMSD bond angle | 0.944 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASES |
Refinement software | PHENIX (1.18.2_3874) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 94.030 | 1.840 |
High resolution limit [Å] | 1.800 | 1.800 |
Rmerge | 0.067 | 0.713 |
Rmeas | 0.088 | |
Rpim | 0.056 | 0.588 |
Number of reflections | 13005 | 737 |
<I/σ(I)> | 9.1 | 1.8 |
Completeness [%] | 97.8 | 99.2 |
Redundancy | 3.8 | 4 |
CC(1/2) | 0.990 | 0.764 |
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) |