7FYE
Crystal Structure of human FABP4 in complex with 1-[(4-chlorophenyl)methyl]-4-hydroxypyridin-2-one
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X10SA |
Synchrotron site | SLS |
Beamline | X10SA |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2010-08-16 |
Detector | PSI PILATUS 6M |
Wavelength(s) | 1.000000 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 32.406, 53.835, 74.834 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 43.700 - 1.250 |
R-factor | 0.1484 |
Rwork | 0.147 |
R-free | 0.16800 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | inhouse model |
RMSD bond length | 0.020 |
RMSD bond angle | 1.873 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | REFMAC (5.6.0081) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 43.700 | 43.700 | 1.280 |
High resolution limit [Å] | 1.250 | 5.590 | 1.250 |
Rmerge | 0.061 | 0.034 | 0.466 |
Rmeas | 0.067 | 0.037 | 0.519 |
Total number of observations | 228070 | ||
Number of reflections | 36892 | 495 | 2629 |
<I/σ(I)> | 19.33 | 43.76 | 4.32 |
Completeness [%] | 99.5 | 99 | 97.7 |
Redundancy | 6.182 | 5.895 | 5.05 |
CC(1/2) | 0.999 | 0.999 | 0.897 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 293 | protein in 25mM Tris/HCl pH 7.5 100mM NaCl, see also PMID 27658368 |