7G10
Crystal Structure of human FABP4 binding site mutated to that of FABP3 in complex with 1-[(4-chloro-2-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 | 2011-02-26 |
Detector | PSI PILATUS 6M |
Wavelength(s) | 0.999900 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 32.532, 53.972, 74.911 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 37.460 - 1.260 |
R-factor | 0.1664 |
Rwork | 0.164 |
R-free | 0.21110 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | inhouse model |
RMSD bond length | 0.020 |
RMSD bond angle | 2.127 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0403) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 37.460 | 37.460 | 1.290 |
High resolution limit [Å] | 1.260 | 5.630 | 1.260 |
Rmerge | 0.071 | 0.028 | 1.452 |
Rmeas | 0.078 | 0.030 | 1.619 |
Total number of observations | 204563 | ||
Number of reflections | 35798 | 489 | 2438 |
<I/σ(I)> | 12.15 | 43.8 | 1.18 |
Completeness [%] | 98.1 | 99.2 | 91.8 |
Redundancy | 5.714 | 5.775 | 4.901 |
CC(1/2) | 0.999 | 0.999 | 0.509 |
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 |