7FWM
Crystal Structure of human FABP4 binding site mutated to that of FABP3 in complex with 1-[(4-chloro-2-phenylphenyl)methyl]-4-hydroxypyridin-2-one
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 | 35.456, 55.698, 74.889 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 37.440 - 1.170 |
R-factor | 0.1604 |
Rwork | 0.159 |
R-free | 0.19460 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | inhouse model |
RMSD bond length | 0.021 |
RMSD bond angle | 1.992 |
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] | 37.440 | 37.440 | 1.200 |
High resolution limit [Å] | 1.170 | 5.250 | 1.170 |
Rmerge | 0.044 | 0.021 | 0.423 |
Rmeas | 0.047 | 0.023 | 0.512 |
Total number of observations | 262778 | ||
Number of reflections | 49500 | 665 | 2960 |
<I/σ(I)> | 14.04 | 48.7 | 2.13 |
Completeness [%] | 98.1 | 99.3 | 80.5 |
Redundancy | 5.25 | 6.244 | 2.673 |
CC(1/2) | 0.999 | 0.999 | 0.843 |
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 |