7G1M
Crystal Structure of human FABP4 binding site mutated to that of FABP5 in complex with rac-(1R,2R)-2-[[3-(3-methyl-1,2,4-oxadiazol-5-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl]cyclohexane-1-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 | 2011-07-16 |
Detector | PSI PILATUS 6M |
Wavelength(s) | 1.000000 |
Spacegroup name | P 2 21 21 |
Unit cell lengths | 32.015, 52.942, 72.164 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 42.690 - 1.340 |
R-factor | 0.1537 |
Rwork | 0.151 |
R-free | 0.19780 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | inhouse model |
RMSD bond length | 0.012 |
RMSD bond angle | 1.555 |
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] | 42.690 | 42.690 | 1.370 |
High resolution limit [Å] | 1.340 | 5.990 | 1.340 |
Rmerge | 0.082 | 0.029 | 1.213 |
Rmeas | 0.090 | 0.032 | 1.324 |
Total number of observations | 177727 | ||
Number of reflections | 28311 | 386 | 2034 |
<I/σ(I)> | 10.9 | 42.25 | 1.47 |
Completeness [%] | 99.9 | 99.5 | 100 |
Redundancy | 6.33 | 5.549 | 6.25 |
CC(1/2) | 0.999 | 0.998 | 0.548 |
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 |