7FYY
Crystal Structure of human FABP4 in complex with 5,7-bis(trifluoromethylsulfanyl)quinolin-8-ol
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 | 2011-10-22 |
Detector | PSI PILATUS 6M |
Wavelength(s) | 1.000000 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 32.349, 53.790, 75.227 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 37.610 - 1.120 |
R-factor | 0.1324 |
Rwork | 0.131 |
R-free | 0.15050 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | inhouse model |
RMSD bond length | 0.020 |
RMSD bond angle | 2.197 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | REFMAC (5.6.0119) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 37.610 | 37.610 | 1.150 |
High resolution limit [Å] | 1.120 | 5.020 | 1.120 |
Rmerge | 0.036 | 0.025 | 0.192 |
Rmeas | 0.037 | 0.027 | 0.215 |
Total number of observations | 309254 | ||
Number of reflections | 50780 | 676 | 3380 |
<I/σ(I)> | 22.32 | 55.49 | 6.6 |
Completeness [%] | 99.4 | 99.4 | 91.2 |
Redundancy | 6.12 | 6.143 | 4.469 |
CC(1/2) | 0.999 | 0.999 | 0.973 |
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 |