7FZ7
Crystal Structure of human FABP4 in complex with 2-[2-[(2-chlorophenyl)methyl]-1-hydroxycyclohexyl]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 | 2011-12-08 |
Detector | PSI PILATUS 6M |
Wavelength(s) | 1.000020 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 32.328, 53.800, 75.117 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 43.730 - 1.120 |
R-factor | 0.1368 |
Rwork | 0.136 |
R-free | 0.15950 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | inhouse model |
RMSD bond length | 0.023 |
RMSD bond angle | 2.211 |
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] | 43.740 | 43.730 | 1.150 |
High resolution limit [Å] | 1.120 | 5.010 | 1.120 |
Rmerge | 0.043 | 0.020 | 0.588 |
Rmeas | 0.045 | 0.022 | 0.661 |
Total number of observations | 307194 | ||
Number of reflections | 50717 | 675 | 3315 |
<I/σ(I)> | 15.95 | 55.68 | 2.78 |
Completeness [%] | 99.2 | 99.3 | 89.8 |
Redundancy | 6.07 | 6.077 | 4.49 |
CC(1/2) | 1.000 | 0.999 | 0.819 |
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 |