7FWP
Crystal Structure of human FABP4 in complex with 3-hydroxy-4-[3-(3-methoxyphenyl)propyl]-2-(2-phenylethyl)-2H-furan-5-one
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 | 32.532, 53.730, 75.468 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 37.740 - 1.030 |
R-factor | 0.1734 |
Rwork | 0.172 |
R-free | 0.20550 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | inhouse model |
RMSD bond length | 0.024 |
RMSD bond angle | 2.377 |
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] | 37.730 | 37.740 | 1.060 |
High resolution limit [Å] | 1.030 | 4.610 | 1.030 |
Rmerge | 0.141 | 0.050 | 1.885 |
Rmeas | 0.108 | 0.055 | 2.077 |
Total number of observations | 396592 | ||
Number of reflections | 64632 | 866 | 4816 |
<I/σ(I)> | 5.57 | 30.09 | 1.13 |
Completeness [%] | 97.5 | 99.7 | 99.9 |
Redundancy | 5.21 | 6.012 | 5.664 |
CC(1/2) | 0.998 | 0.997 | 0.456 |
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 |