7FYF
Crystal Structure of human FABP4 in complex with 4-(4-fluorophenyl)-2-piperidin-1-yl-3-(1H-tetrazol-5-yl)-7,8-dihydro-5H-pyrano[4,3-b]pyridine
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 | 2011-12-11 |
Detector | PSI PILATUS 6M |
Wavelength(s) | 0.700030 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 32.397, 54.227, 75.273 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 37.630 - 1.020 |
R-factor | 0.1394 |
Rwork | 0.138 |
R-free | 0.16490 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | inhouse model |
RMSD bond length | 0.018 |
RMSD bond angle | 1.889 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | REFMAC (5.6.0119) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 37.640 | 37.630 | 1.050 |
High resolution limit [Å] | 1.020 | 4.560 | 1.020 |
Rmerge | 0.044 | 0.014 | 1.371 |
Rmeas | 0.046 | 0.015 | 1.485 |
Total number of observations | 442239 | ||
Number of reflections | 67421 | 877 | 4853 |
<I/σ(I)> | 15.77 | 86.14 | 1.32 |
Completeness [%] | 98.6 | 98.9 | 96.9 |
Redundancy | 6.49 | 6.046 | 6.724 |
CC(1/2) | 1.000 | 1.000 | 0.586 |
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 |