7FW7
Crystal Structure of human FABP4 in complex with 2-[(3-chloro-4-fluorophenyl)carbamoyl]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 | 2011-08-28 |
Detector | PSI PILATUS 6M |
Wavelength(s) | 0.700000 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 32.478, 53.662, 75.241 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 43.690 - 1.060 |
R-factor | 0.1573 |
Rwork | 0.156 |
R-free | 0.18740 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | inhouse model |
RMSD bond length | 0.020 |
RMSD bond angle | 2.122 |
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] | 43.690 | 43.690 | 1.090 |
High resolution limit [Å] | 1.060 | 4.740 | 1.060 |
Rmerge | 0.045 | 0.017 | 1.466 |
Rmeas | 0.049 | 0.018 | 1.589 |
Total number of observations | 396307 | ||
Number of reflections | 60351 | 791 | 4376 |
<I/σ(I)> | 15.71 | 81.91 | 1.34 |
Completeness [%] | 99.6 | 99.4 | 99 |
Redundancy | 6.58 | 5.958 | 6.653 |
CC(1/2) | 1.000 | 1.000 | 0.552 |
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 |