7G0V
Crystal Structure of human FABP4 in complex with rac-(1R,2S)-2-[[3-(trifluoromethyl)phenoxy]methyl]cyclohexane-1-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 | 2012-01-31 |
Detector | PSI PILATUS 6M |
Wavelength(s) | 0.700010 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 32.697, 53.983, 75.342 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 37.660 - 1.060 |
R-factor | 0.1501 |
Rwork | 0.149 |
R-free | 0.18010 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | inhouse model |
RMSD bond length | 0.023 |
RMSD bond angle | 2.343 |
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] | 37.670 | 37.660 | 1.090 |
High resolution limit [Å] | 1.060 | 4.740 | 1.060 |
Rmerge | 0.051 | 0.022 | 1.611 |
Rmeas | 0.057 | 0.024 | 1.749 |
Total number of observations | 397758 | ||
Number of reflections | 60895 | 797 | 4410 |
<I/σ(I)> | 14.5 | 66.57 | 1.18 |
Completeness [%] | 99.2 | 99.1 | 98.4 |
Redundancy | 6.51 | 6.203 | 6.501 |
CC(1/2) | 1.000 | 0.999 | 0.554 |
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 |