7FZ4
Crystal Structure of human FABP4 in complex with 6-(difluoromethyl)-4-isobutyl-5-methoxycarbonyl-2-(trifluoromethyl)pyridine-3-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 | 2011-12-11 |
Detector | PSI PILATUS 6M |
Wavelength(s) | 0.700030 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 32.519, 53.691, 74.521 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 37.270 - 1.010 |
R-factor | 0.1449 |
Rwork | 0.144 |
R-free | 0.16650 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | inhouse model |
RMSD bond length | 0.023 |
RMSD bond angle | 2.339 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | REFMAC (5.6.0119) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 37.260 | 37.270 | 1.040 |
High resolution limit [Å] | 1.010 | 4.520 | 1.010 |
Rmerge | 0.054 | 0.025 | 1.336 |
Rmeas | 0.064 | 0.027 | 1.451 |
Total number of observations | 452566 | ||
Number of reflections | 69260 | 895 | 5056 |
<I/σ(I)> | 13.93 | 51.45 | 1.39 |
Completeness [%] | 99.9 | 99.4 | 99.7 |
Redundancy | 6.56 | 6.12 | 6.525 |
CC(1/2) | 0.999 | 0.999 | 0.564 |
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 |