7G07
Crystal Structure of human FABP4 in complex with 4-[[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl]-3,6-dihydro-2H-pyran-5-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 | 2012-06-04 |
Detector | PSI PILATUS 6M |
Wavelength(s) | 0.700010 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 33.024, 54.276, 75.060 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 30.890 - 1.610 |
R-factor | 0.1947 |
Rwork | 0.193 |
R-free | 0.22950 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | inhouse model |
RMSD bond length | 0.017 |
RMSD bond angle | 1.926 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | REFMAC (5.7.0025) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 30.870 | 30.890 | 1.650 |
High resolution limit [Å] | 1.610 | 7.200 | 1.610 |
Rmerge | 0.072 | 0.025 | 1.447 |
Rmeas | 0.082 | 0.028 | 1.583 |
Total number of observations | 111481 | ||
Number of reflections | 18144 | 244 | 1329 |
<I/σ(I)> | 13.08 | 44.04 | 1.39 |
Completeness [%] | 99.8 | 94.9 | 99.7 |
Redundancy | 6.19 | 5.307 | 6 |
CC(1/2) | 0.999 | 0.999 | 0.593 |
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 |