7FZ5
Crystal Structure of human FABP4 in complex with rac-(2R)-1-[[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl]pyrrolidine-2-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 | 2011-06-30 |
Detector | PSI PILATUS 6M |
Wavelength(s) | 1.000000 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 32.573, 54.147, 74.980 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 37.500 - 1.250 |
R-factor | 0.1562 |
Rwork | 0.154 |
R-free | 0.19150 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | inhouse model |
RMSD bond length | 0.014 |
RMSD bond angle | 1.817 |
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] | 37.490 | 37.500 | 1.280 |
High resolution limit [Å] | 1.250 | 5.590 | 1.250 |
Rmerge | 0.091 | 0.041 | 1.916 |
Rmeas | 0.091 | 0.045 | 2.091 |
Total number of observations | 233723 | ||
Number of reflections | 37442 | 499 | 2702 |
<I/σ(I)> | 8.39 | 30.87 | 1.19 |
Completeness [%] | 99.6 | 98.4 | 99.3 |
Redundancy | 6.28 | 5.647 | 6.278 |
CC(1/2) | 0.997 | 0.998 | 0.497 |
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 |