6LJU
Crystal structure of human FABP4 in complex with a novel inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL18U1 |
| Synchrotron site | SSRF |
| Beamline | BL18U1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-11-18 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 0.980 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 32.388, 53.844, 75.294 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 43.797 - 1.500 |
| R-factor | 0.1765 |
| Rwork | 0.175 |
| R-free | 0.20010 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4nnt |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.728 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER (2.8.2) |
| Refinement software | PHENIX (1.17.1) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.370 |
| High resolution limit [Å] | 1.350 | 3.660 | 1.350 |
| Rmerge | 0.067 | 0.031 | 0.597 |
| Rmeas | 0.070 | 0.032 | 0.635 |
| Rpim | 0.020 | 0.009 | 0.210 |
| Total number of observations | 351734 | ||
| Number of reflections | 29706 | 1645 | 1396 |
| <I/σ(I)> | 8 | ||
| Completeness [%] | 99.7 | 99.9 | 96.2 |
| Redundancy | 11.8 | 11.7 | 8.5 |
| CC(1/2) | 0.999 | 0.870 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | 1.6M trisodium citrate, PH 6.5 |
