7FYX
Crystal Structure of human FABP4 in complex with 2-[(3-phenylthiophen-2-yl)carbamoyl]cyclopentene-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 | 2011-01-28 |
Detector | PSI PILATUS 6M |
Wavelength(s) | 1.000000 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 35.381, 55.201, 74.233 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 37.120 - 1.400 |
R-factor | 0.1968 |
Rwork | 0.195 |
R-free | 0.22730 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | inhouse model |
RMSD bond length | 0.018 |
RMSD bond angle | 1.611 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | REFMAC (5.6.0093) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 37.120 | 37.120 | 1.440 |
High resolution limit [Å] | 1.400 | 6.260 | 1.400 |
Rmerge | 0.048 | 0.020 | 1.103 |
Rmeas | 0.053 | 0.022 | 1.191 |
Total number of observations | 186442 | ||
Number of reflections | 28729 | 396 | 2045 |
<I/σ(I)> | 18.26 | 52.39 | 1.64 |
Completeness [%] | 97.6 | 98.8 | 95.8 |
Redundancy | 6.49 | 6.235 | 6.935 |
CC(1/2) | 0.999 | 1.000 | 0.743 |
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 |