7FZ6
Crystal Structure of human FABP4 in complex with rac-(1R,2S)-2-(phenoxymethyl)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 | 2012-01-31 |
Detector | PSI PILATUS 6M |
Wavelength(s) | 0.700010 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 32.470, 53.929, 75.531 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 30.930 - 1.090 |
R-factor | 0.1617 |
Rwork | 0.160 |
R-free | 0.18720 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | inhouse model |
RMSD bond length | 0.020 |
RMSD bond angle | 2.194 |
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] | 30.930 | 30.930 | 1.120 |
High resolution limit [Å] | 1.090 | 4.870 | 1.090 |
Rmerge | 0.084 | 0.042 | 1.589 |
Rmeas | 0.093 | 0.046 | 1.737 |
Total number of observations | 362630 | ||
Number of reflections | 56181 | 735 | 4117 |
<I/σ(I)> | 9.04 | 40.33 | 1.15 |
Completeness [%] | 99.9 | 99.2 | 99.9 |
Redundancy | 6.32 | 6.045 | 6.113 |
CC(1/2) | 0.999 | 0.997 | 0.485 |
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 |