7G13
Crystal Structure of human FABP4 binding site mutated to that of FABP5 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) | 1.000000 |
Spacegroup name | P 2 21 21 |
Unit cell lengths | 32.141, 53.024, 72.169 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 42.730 - 1.150 |
R-factor | 0.1599 |
Rwork | 0.158 |
R-free | 0.19810 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | inhouse model |
RMSD bond length | 0.020 |
RMSD bond angle | 2.283 |
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] | 42.730 | 42.730 | 1.180 |
High resolution limit [Å] | 1.150 | 5.140 | 1.150 |
Rmerge | 0.093 | 0.031 | 1.376 |
Rmeas | 0.117 | 0.034 | 1.506 |
Total number of observations | 269199 | ||
Number of reflections | 44200 | 595 | 3111 |
<I/σ(I)> | 10.49 | 44.42 | 1.38 |
Completeness [%] | 98.9 | 99.2 | 96 |
Redundancy | 6.03 | 5.903 | 6.018 |
CC(1/2) | 0.998 | 0.999 | 0.494 |
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 |