7FYT
Crystal Structure of human FABP4 in complex with 5-[(3-chloro-2-methylphenoxy)methyl]-2-phenyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-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 | 2010-08-20 |
Detector | PSI PILATUS 6M |
Wavelength(s) | 1.000000 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 32.948, 53.154, 74.473 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 37.240 - 1.240 |
R-factor | 0.1526 |
Rwork | 0.151 |
R-free | 0.18200 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | inhouse model |
RMSD bond length | 0.019 |
RMSD bond angle | 1.828 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | REFMAC (5.6.0081) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 37.240 | 37.240 | 1.270 |
High resolution limit [Å] | 1.240 | 5.550 | 1.240 |
Rmerge | 0.070 | 0.057 | 0.476 |
Rmeas | 0.076 | 0.062 | 0.532 |
Total number of observations | 233916 | ||
Number of reflections | 37451 | 506 | 2365 |
<I/σ(I)> | 12.95 | 24.93 | 2.72 |
Completeness [%] | 98.8 | 99.4 | 85.3 |
Redundancy | 6.246 | 5.966 | 4.396 |
CC(1/2) | 0.997 | 0.996 | 0.888 |
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 |