5HZ8
FABP4_3 in complex with 6,8-Dichloro-4-phenyl-2-piperidin-1-yl-quinoline-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 | 2011-02-14 |
Detector | PSI PILATUS 6M |
Wavelength(s) | 0.999900 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 35.400, 55.768, 74.373 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 31.960 - 1.120 |
R-factor | 0.14499 |
Rwork | 0.144 |
R-free | 0.17088 |
RMSD bond length | 0.024 |
RMSD bond angle | 2.147 |
Data reduction software | XDS |
Data scaling software | SADABS |
Phasing software | REFMAC (5) |
Refinement software | REFMAC (5) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 32.000 | 1.150 | |
High resolution limit [Å] | 1.120 | 5.020 | 1.120 |
Rmerge | 0.041 | 0.024 | 0.386 |
Number of reflections | 56631 | ||
<I/σ(I)> | 17.6 | 58.29 | 3.1 |
Completeness [%] | 99.0 | 99.3 | 88.5 |
Redundancy | 5.81 | 3.8 | |
CC(1/2) | 1.000 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 295 |