7G0J
Crystal Structure of human FABP4 in complex with 2-[3-(4-chloro-2-phenoxyphenyl)phenyl]acetic 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 | 2010-10-04 |
Detector | PSI PILATUS 6M |
Wavelength(s) | 0.800000 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 32.555, 54.081, 74.975 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 37.490 - 1.080 |
R-factor | 0.1563 |
Rwork | 0.155 |
R-free | 0.18430 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | inhouse model |
RMSD bond length | 0.025 |
RMSD bond angle | 2.298 |
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] | 37.490 | 37.490 | 1.110 |
High resolution limit [Å] | 1.080 | 4.830 | 1.080 |
Rmerge | 0.051 | 0.020 | 1.536 |
Rmeas | 0.055 | 0.022 | 1.672 |
Total number of observations | 370587 | ||
Number of reflections | 57592 | 751 | 4196 |
<I/σ(I)> | 15.79 | 67.61 | 1.21 |
Completeness [%] | 99.8 | 98.8 | 99.9 |
Redundancy | 6.435 | 5.948 | 6.467 |
CC(1/2) | 1.000 | 0.999 | 0.550 |
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 |