7FZT
Crystal Structure of human FABP4 binding site mutated to that of FABP5 in complex with rac-(1R,2S)-2-[(3,4-dichlorobenzoyl)amino]cyclohexane-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 | 2011-12-01 |
Detector | PSI PILATUS 6M |
Wavelength(s) | 1.000000 |
Spacegroup name | P 2 21 21 |
Unit cell lengths | 32.020, 52.967, 72.208 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 42.710 - 1.400 |
R-factor | 0.2173 |
Rwork | 0.215 |
R-free | 0.26520 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | inhouse model |
RMSD bond length | 0.023 |
RMSD bond angle | 2.454 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | REFMAC (5.6.0119) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 42.710 | 42.710 | 1.440 |
High resolution limit [Å] | 1.400 | 6.260 | 1.400 |
Rmerge | 0.114 | 0.045 | 1.715 |
Rmeas | 0.125 | 0.050 | 1.865 |
Total number of observations | 154152 | ||
Number of reflections | 24916 | 341 | 1804 |
<I/σ(I)> | 9.81 | 27.47 | 1.36 |
Completeness [%] | 99.8 | 98.6 | 99.9 |
Redundancy | 6.187 | 5.519 | 6.493 |
CC(1/2) | 0.997 | 0.997 | 0.497 |
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 |