6LJX
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 | 32.395, 53.701, 75.153 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 30.788 - 1.750 |
R-factor | 0.1888 |
Rwork | 0.186 |
R-free | 0.23030 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4nnt |
RMSD bond length | 0.006 |
RMSD bond angle | 0.768 |
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 | 1.580 |
High resolution limit [Å] | 1.550 | 4.210 | 1.550 |
Rmerge | 0.123 | 0.083 | 1.448 |
Rmeas | 0.128 | 0.087 | 1.526 |
Rpim | 0.036 | 0.024 | 0.475 |
Total number of observations | 243722 | ||
Number of reflections | 19830 | 1108 | 973 |
<I/σ(I)> | 5.6 | ||
Completeness [%] | 100.0 | 99.8 | 100 |
Redundancy | 12.3 | 11.6 | 10 |
CC(1/2) | 0.996 | 0.794 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | 1.4 M trisodium citrate, PH 7.5 |