7FZU
Crystal Structure of human FABP4 binding site mutated to that of FABP5 in complex with 2-(indole-1-carbonylamino)benzoic 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 | 2011-07-16 |
Detector | PSI PILATUS 6M |
Wavelength(s) | 1.000000 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 53.404, 72.606, 31.828 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 36.300 - 1.250 |
R-factor | 0.1595 |
Rwork | 0.158 |
R-free | 0.19240 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | inhouse model |
RMSD bond length | 0.017 |
RMSD bond angle | 1.888 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | REFMAC (5.6.0112) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 36.300 | 36.300 | 1.280 |
High resolution limit [Å] | 1.260 | 5.590 | 1.250 |
Rmerge | 0.057 | 0.022 | 1.320 |
Rmeas | 0.062 | 0.024 | 1.472 |
Total number of observations | 215985 | ||
Number of reflections | 34234 | 473 | 2489 |
<I/σ(I)> | 13.39 | 55.51 | 1.18 |
Completeness [%] | 99.8 | 99.4 | 98 |
Redundancy | 6.3 | 5.594 | 5.039 |
CC(1/2) | 0.999 | 0.999 | 0.453 |
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 |