7FWF
Crystal Structure of human FABP4 binding site mutated to that of FABP5 in complex with 5-cyclohexyl-6-(2,2,2-trifluoroethoxy)-2-(trifluoromethyl)pyridine-3-carboxylic acid
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 | 2012-03-23 |
Detector | PSI PILATUS 6M |
Wavelength(s) | 0.999870 |
Spacegroup name | P 2 21 21 |
Unit cell lengths | 32.030, 52.808, 72.159 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 36.080 - 1.240 |
R-factor | 0.1386 |
Rwork | 0.136 |
R-free | 0.17990 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | inhouse model |
RMSD bond length | 0.018 |
RMSD bond angle | 2.009 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | REFMAC (5.7.0018) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 36.080 | 36.080 | 1.270 |
High resolution limit [Å] | 1.240 | 5.550 | 1.240 |
Rmerge | 0.061 | 0.030 | 0.847 |
Rmeas | 0.065 | 0.032 | 0.943 |
Total number of observations | 215347 | ||
Number of reflections | 34508 | 474 | 2011 |
<I/σ(I)> | 13.46 | 42.73 | 1.79 |
Completeness [%] | 97.1 | 98.8 | 78.5 |
Redundancy | 6.13 | 5.658 | 4.806 |
CC(1/2) | 0.999 | 0.999 | 0.638 |
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 |