7FWG
Crystal Structure of human FABP4 in complex with 1-[(4-chloro-3-phenoxyphenyl)methyl]-4-hydroxypyridin-2-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 | 2010-12-18 |
Detector | PSI PILATUS 6M |
Wavelength(s) | 0.999900 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 32.382, 53.922, 74.878 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 43.760 - 1.130 |
R-factor | 0.1348 |
Rwork | 0.134 |
R-free | 0.15410 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | inhouse model |
RMSD bond length | 0.024 |
RMSD bond angle | 2.218 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | REFMAC (5.6.0093) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 43.760 | 43.760 | 1.160 |
High resolution limit [Å] | 1.130 | 5.050 | 1.130 |
Rmerge | 0.034 | 0.026 | 0.295 |
Rmeas | 0.037 | 0.028 | 0.325 |
Total number of observations | 307371 | ||
Number of reflections | 49839 | 665 | 3568 |
<I/σ(I)> | 25.43 | 58.99 | 5.94 |
Completeness [%] | 99.6 | 99 | 97.2 |
Redundancy | 6.167 | 5.895 | 5.601 |
CC(1/2) | 0.999 | 0.999 | 0.958 |
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 |