7FXR
Crystal Structure of human FABP4 in complex with 2-[rac-(9R,10S)-10-benzyl-3,3-dimethyl-1,5-dioxaspiro[5.5]undecan-9-yl]acetic 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 | 2011-11-28 |
Detector | PSI PILATUS 6M |
Wavelength(s) | 0.700000 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 32.424, 53.896, 74.808 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 43.730 - 0.990 |
R-factor | 0.1389 |
Rwork | 0.138 |
R-free | 0.16110 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | inhouse model |
RMSD bond length | 0.021 |
RMSD bond angle | 2.209 |
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] | 43.730 | 43.730 | 1.020 |
High resolution limit [Å] | 0.990 | 4.430 | 0.990 |
Rmerge | 0.051 | 0.026 | 1.250 |
Rmeas | 0.056 | 0.029 | 1.358 |
Total number of observations | 487529 | ||
Number of reflections | 73866 | 956 | 5427 |
<I/σ(I)> | 15.78 | 78.11 | 1.33 |
Completeness [%] | 100.0 | 99.5 | 99.9 |
Redundancy | 6.54 | 6.344 | 6.545 |
CC(1/2) | 1.000 | 0.999 | 0.577 |
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 |