8GEY
Crystal structure of human cellular retinol binding protein 1 in complex with 4-(hydroxymethyl)-1-[(4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)sulfonyl]piperidin-4-ol
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 | 2020-06-20 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 0.9791 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 37.477, 43.018, 89.222 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 38.750 - 1.300 |
R-factor | 0.1639 |
Rwork | 0.163 |
R-free | 0.18160 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6e5l |
RMSD bond length | 0.017 |
RMSD bond angle | 1.612 |
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] | 43.020 | 1.320 |
High resolution limit [Å] | 1.300 | 1.300 |
Rmerge | 0.091 | 0.755 |
Rmeas | 0.110 | 0.641 |
Rpim | 0.045 | 0.512 |
Number of reflections | 36077 | 1765 |
<I/σ(I)> | 11.4 | 2 |
Completeness [%] | 99.4 | 96.9 |
Redundancy | 5.7 | |
CC(1/2) | 0.996 | 0.670 |
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) |