7FZI
Crystal Structure of human FABP4 in complex with 2-[[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]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 | 2012-02-10 |
Detector | PSI PILATUS 6M |
Wavelength(s) | 0.700030 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 32.547, 53.670, 74.648 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 37.320 - 1.070 |
R-factor | 0.1523 |
Rwork | 0.151 |
R-free | 0.17530 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | inhouse model |
RMSD bond length | 0.025 |
RMSD bond angle | 2.369 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | REFMAC (5.7.0018) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 37.320 | 37.320 | 1.100 |
High resolution limit [Å] | 1.070 | 4.790 | 1.070 |
Rmerge | 0.059 | 0.019 | 1.248 |
Rmeas | 0.069 | 0.021 | 1.353 |
Total number of observations | 382832 | ||
Number of reflections | 58266 | 765 | 4227 |
<I/σ(I)> | 13.69 | 65.69 | 1.44 |
Completeness [%] | 99.4 | 99 | 98.5 |
Redundancy | 6.55 | 6.065 | 6.585 |
CC(1/2) | 1.000 | 1.000 | 0.606 |
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 |