7FZX
Crystal Structure of human FABP4 in complex with (2S)-6-(4-chlorophenoxy)-2-(4-methylphenoxy)hexanoic 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 | 32.514, 53.749, 75.204 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 43.730 - 1.070 |
R-factor | 0.1488 |
Rwork | 0.147 |
R-free | 0.17790 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | inhouse model |
RMSD bond length | 0.024 |
RMSD bond angle | 2.244 |
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 | 1.100 |
High resolution limit [Å] | 1.070 | 4.790 | 1.070 |
Rmerge | 0.063 | 0.023 | 1.349 |
Rmeas | 0.073 | 0.026 | 1.465 |
Total number of observations | 383987 | ||
Number of reflections | 59037 | 781 | 4299 |
<I/σ(I)> | 11.25 | 57.75 | 1.39 |
Completeness [%] | 100.0 | 99.7 | 100 |
Redundancy | 6.49 | 6.204 | 6.605 |
CC(1/2) | 0.999 | 0.999 | 0.555 |
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 |