7G0I
Crystal Structure of human FABP4 in complex with 5-phenoxy-6-(2,2,2-trifluoroethoxy)-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 | 2012-03-23 |
Detector | PSI PILATUS 6M |
Wavelength(s) | 0.700010 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 32.446, 53.543, 74.681 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 43.520 - 1.070 |
R-factor | 0.1531 |
Rwork | 0.151 |
R-free | 0.18130 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | inhouse model |
RMSD bond length | 0.022 |
RMSD bond angle | 2.269 |
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] | 43.510 | 43.520 | 1.100 |
High resolution limit [Å] | 1.070 | 4.790 | 1.070 |
Rmerge | 0.037 | 0.013 | 1.425 |
Rmeas | 0.042 | 0.014 | 1.550 |
Total number of observations | 380024 | ||
Number of reflections | 58224 | 764 | 4243 |
<I/σ(I)> | 18.28 | 93.75 | 1.26 |
Completeness [%] | 99.9 | 99.7 | 100 |
Redundancy | 6.54 | 6 | 6.489 |
CC(1/2) | 1.000 | 1.000 | 0.560 |
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 |