5Y0G
Crystal structure of human FABP4 complexed with ligand 4-Fluoro-3-((4-methoxynaphthalene)-1-sulfonamido) benzoic acid
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL19U1 |
Synchrotron site | SSRF |
Beamline | BL19U1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-05-28 |
Detector | DECTRIS PILATUS 2M |
Wavelength(s) | 0.9775 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 32.380, 53.670, 75.260 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 43.697 - 1.542 |
R-factor | 0.175 |
Rwork | 0.174 |
R-free | 0.20460 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4nns |
RMSD bond length | 0.013 |
RMSD bond angle | 1.193 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX (1.11.1_2575) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 43.700 | 1.580 |
High resolution limit [Å] | 1.540 | 1.540 |
Rmerge | 0.340 | |
Rpim | 0.410 | |
Number of reflections | 36585 | 2467 |
<I/σ(I)> | 15.08 | 3.75 |
Completeness [%] | 98.0 | 89.8 |
Redundancy | 3.29 | 2.54 |
CC(1/2) | 0.899 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | 1.6 M sodium citrate, pH 6.5 |