7FZY
Crystal Structure of human FABP4 in complex with 6-chloro-4-phenyl-2-piperidin-1-yl-3-(1H-tetrazol-5-yl)quinoline
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 | 2011-01-28 |
Detector | PSI PILATUS 6M |
Wavelength(s) | 1.000000 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 32.215, 54.374, 75.143 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 44.060 - 1.170 |
R-factor | 0.1374 |
Rwork | 0.136 |
R-free | 0.17140 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | inhouse model |
RMSD bond length | 0.025 |
RMSD bond angle | 2.336 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | REFMAC (5.6.0093) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 44.050 | 44.060 | 1.200 |
High resolution limit [Å] | 1.170 | 5.240 | 1.170 |
Rmerge | 0.041 | 0.023 | 0.577 |
Rmeas | 0.045 | 0.025 | 0.655 |
Total number of observations | 277525 | ||
Number of reflections | 44617 | 602 | 2874 |
<I/σ(I)> | 19.66 | 55.97 | 2.48 |
Completeness [%] | 98.7 | 99.5 | 87.3 |
Redundancy | 6.22 | 6.292 | 4.028 |
CC(1/2) | 1.000 | 1.000 | 0.850 |
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 |