7FZB
Crystal Structure of human FABP4 in complex with 2-[5-methyl-2-(1-methylcyclohexyl)-1,3-oxazol-4-yl]acetic 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 | 2012-02-05 |
Detector | PSI PILATUS 6M |
Wavelength(s) | 0.700030 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 32.423, 54.013, 75.029 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 30.820 - 1.080 |
R-factor | 0.1577 |
Rwork | 0.156 |
R-free | 0.19290 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | inhouse model |
RMSD bond length | 0.022 |
RMSD bond angle | 2.203 |
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] | 30.810 | 30.820 | 1.110 |
High resolution limit [Å] | 1.080 | 4.830 | 1.080 |
Rmerge | 0.100 | 0.071 | 1.104 |
Rmeas | 0.103 | 0.078 | 1.223 |
Total number of observations | 329411 | ||
Number of reflections | 56868 | 749 | 4133 |
<I/σ(I)> | 8.02 | 24.86 | 1.63 |
Completeness [%] | 99.0 | 99.3 | 99.2 |
Redundancy | 5.43 | 5.87 | 5.299 |
CC(1/2) | 0.997 | 0.995 | 0.607 |
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 |