7G1I
Crystal Structure of human FABP4 in complex with 5-(4-chlorophenyl)-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 | 2011-08-14 |
Detector | PSI PILATUS 6M |
Wavelength(s) | 1.000000 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 32.463, 53.688, 75.416 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 37.720 - 1.530 |
R-factor | 0.2127 |
Rwork | 0.210 |
R-free | 0.25890 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | inhouse model |
RMSD bond length | 0.017 |
RMSD bond angle | 1.976 |
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] | 37.710 | 37.720 | 1.570 |
High resolution limit [Å] | 1.530 | 6.840 | 1.530 |
Rmerge | 0.099 | 0.030 | 1.103 |
Rmeas | 0.105 | 0.033 | 1.196 |
Total number of observations | 124950 | ||
Number of reflections | 19549 | 286 | 1475 |
<I/σ(I)> | 9.44 | 30.78 | 1.74 |
Completeness [%] | 94.8 | 99 | 99.1 |
Redundancy | 5.76 | 5.486 | 6.575 |
CC(1/2) | 0.998 | 0.998 | 0.680 |
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 |