7G14
Crystal Structure of human FABP4 in complex with 6-cyclopentyl-N,5-dimethyl-4-phenyl-N-propan-2-yl-3-(1H-tetrazol-5-yl)pyridin-2-amine
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 | 2012-05-05 |
Detector | PSI PILATUS 6M |
Wavelength(s) | 0.999980 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 32.468, 54.097, 74.828 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 30.790 - 1.200 |
R-factor | 0.1461 |
Rwork | 0.144 |
R-free | 0.18350 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | inhouse model |
RMSD bond length | 0.019 |
RMSD bond angle | 2.009 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | REFMAC (5.7.0025) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 30.770 | 30.790 | 1.240 |
High resolution limit [Å] | 1.200 | 5.380 | 1.200 |
Rmerge | 0.034 | 0.016 | 0.858 |
Rmeas | 0.037 | 0.018 | 0.977 |
Total number of observations | 247967 | ||
Number of reflections | 41217 | 550 | 2612 |
<I/σ(I)> | 20.85 | 76.78 | 1.59 |
Completeness [%] | 98.9 | 98.9 | 86.9 |
Redundancy | 5.99 | 5.889 | 4.132 |
CC(1/2) | 1.000 | 1.000 | 0.693 |
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 |