7FYL
Crystal Structure of human FABP4 in complex with 6-(4-chlorophenyl)sulfanyl-2-(4-methylphenyl)sulfanylhexanoic 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 | 32.616, 53.956, 75.287 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 37.640 - 1.070 |
R-factor | 0.1485 |
Rwork | 0.147 |
R-free | 0.16970 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | inhouse model |
RMSD bond length | 0.019 |
RMSD bond angle | 2.139 |
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] | 37.640 | 37.640 | 1.100 |
High resolution limit [Å] | 1.070 | 4.790 | 1.070 |
Rmerge | 0.053 | 0.021 | 1.295 |
Rmeas | 0.057 | 0.023 | 1.410 |
Total number of observations | 382103 | ||
Number of reflections | 59468 | 783 | 4318 |
<I/σ(I)> | 11.96 | 46.95 | 1.45 |
Completeness [%] | 99.9 | 99.6 | 99.9 |
Redundancy | 6.47 | 6.024 | 6.415 |
CC(1/2) | 0.999 | 0.999 | 0.594 |
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 |