6LJW
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 | 2019-05-03 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 0.979 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 32.298, 53.888, 75.281 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.858 - 1.400 |
| R-factor | 0.1994 |
| Rwork | 0.198 |
| R-free | 0.23160 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4nnt |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.764 |
| 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 | 0.050 | 0.026 | 0.386 |
| Rmeas | 0.053 | 0.027 | 0.414 |
| Rpim | 0.015 | 0.008 | 0.144 |
| Total number of observations | 353338 | ||
| Number of reflections | 29409 | 1640 | 1290 |
| <I/σ(I)> | 8 | ||
| Completeness [%] | 99.0 | 99.8 | 89.3 |
| Redundancy | 12 | 12.2 | 7.4 |
| CC(1/2) | 0.999 | 0.940 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | 1.6M trisodium citrate, PH 6.5 |
