7FWV
Crystal Structure of human FABP4 binding site mutated to that of FABP5 in complex with 6-cyclopentyl-N,5-dimethyl-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 | 2012-05-05 |
Detector | PSI PILATUS 6M |
Wavelength(s) | 0.999980 |
Spacegroup name | P 2 21 21 |
Unit cell lengths | 31.696, 53.738, 72.319 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 36.160 - 1.450 |
R-factor | 0.1557 |
Rwork | 0.152 |
R-free | 0.21750 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | inhouse model |
RMSD bond length | 0.019 |
RMSD bond angle | 2.128 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | REFMAC (5.7.0025) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 36.160 | 36.160 | 1.490 |
High resolution limit [Å] | 1.450 | 6.480 | 1.450 |
Rmerge | 0.078 | 0.025 | 1.378 |
Rmeas | 0.084 | 0.027 | 1.494 |
Total number of observations | 143921 | ||
Number of reflections | 22156 | 307 | 1577 |
<I/σ(I)> | 12.79 | 43.81 | 1.5 |
Completeness [%] | 97.9 | 98.7 | 96.2 |
Redundancy | 6.42 | 5.41 | 6.564 |
CC(1/2) | 0.999 | 0.999 | 0.574 |
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 |