7FYU
Crystal Structure of human FABP4 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 | 2012-09-17 |
Detector | PSI PILATUS 6M |
Wavelength(s) | 0.700010 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 32.926, 53.993, 74.197 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 30.580 - 1.170 |
R-factor | 0.1752 |
Rwork | 0.173 |
R-free | 0.22000 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | inhouse model |
RMSD bond length | 0.026 |
RMSD bond angle | 2.321 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 30.580 | 30.580 | 1.200 |
High resolution limit [Å] | 1.170 | 5.230 | 1.170 |
Rmerge | 0.054 | 0.024 | 1.797 |
Rmeas | 0.062 | 0.027 | 1.948 |
Total number of observations | 298225 | ||
Number of reflections | 45375 | 605 | 3308 |
<I/σ(I)> | 12.24 | 59.71 | 1.11 |
Completeness [%] | 99.7 | 99 | 99.8 |
Redundancy | 6.58 | 5.871 | 6.785 |
CC(1/2) | 1.000 | 0.999 | 0.481 |
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 |