7FXI
Crystal Structure of human FABP4 in complex with rac-(1R,3S)-2,2-dimethyl-3-[(2-phenylphenyl)carbamoyl]cyclopropane-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 | 2010-09-19 |
Detector | PSI PILATUS 6M |
Wavelength(s) | 1.000000 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 33.816, 55.013, 74.013 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 37.010 - 1.510 |
R-factor | 0.2099 |
Rwork | 0.209 |
R-free | 0.23440 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | inhouse model |
RMSD bond length | 0.012 |
RMSD bond angle | 1.404 |
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] | 37.010 | 37.010 | 1.550 |
High resolution limit [Å] | 1.510 | 6.750 | 1.510 |
Rmerge | 0.056 | 0.025 | 1.371 |
Rmeas | 0.061 | 0.028 | 1.486 |
Total number of observations | 134808 | ||
Number of reflections | 21828 | 305 | 1607 |
<I/σ(I)> | 14.11 | 34.44 | 1.3 |
Completeness [%] | 97.3 | 99.3 | 98.5 |
Redundancy | 6.176 | 5.757 | 6.643 |
CC(1/2) | 0.999 | 0.999 | 0.544 |
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 |