7FX4
Crystal Structure of human FABP4 in complex with rac-(1R,2S)-2-[(3,4-dichlorophenoxy)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 | 2011-12-11 |
Detector | PSI PILATUS 6M |
Wavelength(s) | 0.700030 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 32.710, 53.611, 74.790 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 43.560 - 1.020 |
R-factor | 0.1458 |
Rwork | 0.145 |
R-free | 0.16520 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | inhouse model |
RMSD bond length | 0.029 |
RMSD bond angle | 2.419 |
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] | 43.570 | 43.560 | 1.050 |
High resolution limit [Å] | 1.020 | 4.560 | 1.020 |
Rmerge | 0.047 | 0.025 | 1.301 |
Rmeas | 0.051 | 0.028 | 1.410 |
Total number of observations | 444396 | ||
Number of reflections | 67738 | 880 | 4934 |
<I/σ(I)> | 14.46 | 55.85 | 1.4 |
Completeness [%] | 99.9 | 99.2 | 99.6 |
Redundancy | 6.58 | 5.983 | 6.6 |
CC(1/2) | 0.999 | 0.999 | 0.628 |
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 |