7FW9
Crystal Structure of human FABP4 in complex with 2-[(3-ethoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-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 | 2010-08-03 |
Detector | PSI PILATUS 6M |
Wavelength(s) | 0.750000 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 32.568, 53.610, 74.805 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 37.400 - 1.000 |
R-factor | 0.157 |
Rwork | 0.156 |
R-free | 0.17210 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | inhouse model |
RMSD bond length | 0.024 |
RMSD bond angle | 2.105 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | REFMAC (5.6.0081) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 37.400 | 37.400 | 1.030 |
High resolution limit [Å] | 1.000 | 4.470 | 1.000 |
Rmerge | 0.035 | 0.020 | 1.189 |
Rmeas | 0.038 | 0.022 | 1.297 |
Total number of observations | 465638 | ||
Number of reflections | 71536 | 922 | 5228 |
<I/σ(I)> | 18.32 | 70.34 | 1.55 |
Completeness [%] | 99.8 | 99 | 99.9 |
Redundancy | 6.509 | 6.317 | 6.282 |
CC(1/2) | 1.000 | 1.000 | 0.625 |
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 |