7FY8
Crystal Structure of human FABP1 in complex with 2-[[4-cyclopropyl-5-methyl-3-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]thiophen-2-yl]carbamoyl]cyclopentene-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 | 2012-03-23 |
Detector | PSI PILATUS 6M |
Wavelength(s) | 0.999880 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 119.658, 75.081, 110.691 |
Unit cell angles | 90.00, 94.38, 90.00 |
Refinement procedure
Resolution | 42.530 - 2.230 |
R-factor | 0.1986 |
Rwork | 0.196 |
R-free | 0.24270 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | inhouse model |
RMSD bond length | 0.010 |
RMSD bond angle | 1.300 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | BUSTER (2.11.2) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 42.530 | 42.530 | 2.240 |
High resolution limit [Å] | 2.210 | 6.130 | 2.210 |
Rmerge | 0.061 | 0.031 | 0.562 |
Total number of observations | 152972 | ||
Number of reflections | 46522 | 2337 | 433 |
<I/σ(I)> | 12.57 | 34.82 | 0.59 |
Completeness [%] | 94.9 | 97 | 38.1 |
Redundancy | 3.12 | 3.18 | 0.44 |
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 |