7FY4
Crystal Structure of human FABP4 binding site mutated to that of FABP5 in complex with 2-benzyl-6-tert-butyl-3-methyl-4-phenyl-5-(1H-tetrazol-5-yl)pyridine
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 | 2012-08-21 |
Detector | PSI PILATUS 6M |
Wavelength(s) | 0.700000 |
Spacegroup name | P 2 21 21 |
Unit cell lengths | 31.677, 53.128, 72.264 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 36.130 - 1.510 |
R-factor | 0.207 |
Rwork | 0.203 |
R-free | 0.28620 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | inhouse model |
RMSD bond length | 0.013 |
RMSD bond angle | 1.651 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | REFMAC (5.7.0027) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 36.130 | 36.130 | 1.550 |
High resolution limit [Å] | 1.510 | 6.750 | 1.510 |
Rmerge | 0.124 | 0.035 | 1.856 |
Rmeas | 0.135 | 0.039 | 2.013 |
Total number of observations | 120532 | ||
Number of reflections | 19384 | 275 | 1409 |
<I/σ(I)> | 7.84 | 35.96 | 1.15 |
Completeness [%] | 97.7 | 98.6 | 100 |
Redundancy | 5.71 | 5.291 | 6.698 |
CC(1/2) | 0.998 | 0.999 | 0.420 |
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 |