7FWQ
Crystal Structure of human FABP4 binding site mutated to that of FABP3 in complex with 6-chloro-4-(2-chlorophenoxy)-2-methylquinoline-3-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 | 2011-02-14 |
Detector | PSI PILATUS 6M |
Wavelength(s) | 0.999900 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 35.390, 55.866, 74.385 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 44.670 - 1.200 |
R-factor | 0.159 |
Rwork | 0.158 |
R-free | 0.18510 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | inhouse model |
RMSD bond length | 0.017 |
RMSD bond angle | 1.792 |
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] | 44.670 | 44.670 | 1.230 |
High resolution limit [Å] | 1.200 | 5.370 | 1.200 |
Rmerge | 0.044 | 0.019 | 0.674 |
Rmeas | 0.045 | 0.021 | 0.744 |
Total number of observations | 265998 | ||
Number of reflections | 48203 | 612 | 2743 |
<I/σ(I)> | 14.71 | 62.9 | 2.45 |
Completeness [%] | 88.2 | 97.3 | 80.5 |
Redundancy | 5.4 | 6.266 | 5.385 |
CC(1/2) | 1.000 | 0.999 | 0.815 |
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 |