7FYZ
Crystal Structure of human FABP4 in complex with 2-[2,3-bis[(2-chlorophenyl)methoxy]phenyl]-2-methoxyacetic 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 | 2011-04-09 |
Detector | PSI PILATUS 6M |
Wavelength(s) | 1.000000 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 32.216, 53.849, 75.495 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 43.840 - 1.130 |
R-factor | 0.1356 |
Rwork | 0.135 |
R-free | 0.15450 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | inhouse model |
RMSD bond length | 0.019 |
RMSD bond angle | 2.070 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | REFMAC (5.6.0112) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 43.840 | 43.840 | 1.160 |
High resolution limit [Å] | 1.130 | 5.050 | 1.130 |
Rmerge | 0.030 | 0.019 | 0.302 |
Rmeas | 0.030 | 0.021 | 0.341 |
Total number of observations | 301156 | ||
Number of reflections | 49966 | 663 | 3524 |
<I/σ(I)> | 22.75 | 73.67 | 4.83 |
Completeness [%] | 99.3 | 98.8 | 96.3 |
Redundancy | 6.07 | 6.002 | 4.588 |
CC(1/2) | 1.000 | 0.999 | 0.956 |
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 |