7FW8
Crystal Structure of human FABP4 binding site mutated to that of FABP3 in complex with 6-chloro-2-methyl-4-phenylquinoline-3-carboxylic acid
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 | 2011-03-13 |
Detector | PSI PILATUS 6M |
Wavelength(s) | 1.000000 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 32.555, 54.149, 74.859 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 37.430 - 1.160 |
R-factor | 0.1735 |
Rwork | 0.171 |
R-free | 0.21940 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | inhouse model |
RMSD bond length | 0.023 |
RMSD bond angle | 2.076 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | REFMAC (5.6.0111) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 37.430 | 37.430 | 1.190 |
High resolution limit [Å] | 1.160 | 5.190 | 1.160 |
Rmerge | 0.080 | 0.034 | 1.889 |
Rmeas | 0.089 | 0.037 | 2.061 |
Total number of observations | 288017 | ||
Number of reflections | 46351 | 621 | 3321 |
<I/σ(I)> | 8.74 | 38.61 | 1.11 |
Completeness [%] | 99.2 | 99.4 | 97.9 |
Redundancy | 6.15 | 5.831 | 6.133 |
CC(1/2) | 0.999 | 0.998 | 0.566 |
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 |