7G12
Crystal Structure of human FABP4 binding site mutated to that of FABP5 in complex with N-methyl-6-(3-methylthiophen-2-yl)-4-phenyl-N-propan-2-yl-3-(1H-tetrazol-5-yl)pyridin-2-amine
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 | 2012-06-29 |
Detector | PSI PILATUS 6M |
Wavelength(s) | 0.999970 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 53.568, 73.406, 32.838 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 36.703 - 1.640 |
R-factor | 0.1901 |
Rwork | 0.189 |
R-free | 0.22090 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | inhouse model |
RMSD bond length | 0.009 |
RMSD bond angle | 1.079 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX (dev_1032) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 36.703 | 36.703 | 1.680 |
High resolution limit [Å] | 1.640 | 7.330 | 1.640 |
Rmerge | 0.162 | 0.052 | 2.800 |
Rmeas | 0.179 | 0.058 | 3.054 |
Total number of observations | 94906 | ||
Number of reflections | 16494 | 232 | 1188 |
<I/σ(I)> | 8.93 | 22.88 | 0.92 |
Completeness [%] | 99.6 | 97.9 | 99.9 |
Redundancy | 5.754 | 4.815 | 6.35 |
CC(1/2) | 0.995 | 0.998 | 0.282 |
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 |