7FYB
Crystal Structure of human FABP4 in complex with rac-(1R,2S,4R)-2-[(3-chlorobenzoyl)amino]-4-phenoxycyclohexane-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 | 2012-02-27 |
Detector | PSI PILATUS 6M |
Wavelength(s) | 0.700000 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 32.564, 53.666, 74.652 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 43.570 - 1.050 |
R-factor | 0.1514 |
Rwork | 0.150 |
R-free | 0.18220 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | inhouse model |
RMSD bond length | 0.026 |
RMSD bond angle | 2.427 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | REFMAC (5.7.0018) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 43.570 | 43.570 | 1.080 |
High resolution limit [Å] | 1.080 | 4.700 | 1.050 |
Rmerge | 0.046 | 0.019 | 1.475 |
Rmeas | 0.052 | 0.021 | 1.605 |
Total number of observations | 404085 | ||
Number of reflections | 56955 | 804 | 4484 |
<I/σ(I)> | 15.34 | 66.19 | 1.12 |
Completeness [%] | 99.9 | 99.6 | 99.8 |
Redundancy | 6.57 | 6.039 | 6.456 |
CC(1/2) | 1.000 | 1.000 | 0.480 |
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 |