5HZ6
FABP4 in complex with 6-Chloro-2-isopropyl-4-(3-isopropyl-phenyl)-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 | 2011-03-30 |
| Detector | PSI PILATUS 6M |
| Wavelength(s) | 1.000000 |
| Spacegroup name | P 2 21 21 |
| Unit cell lengths | 31.753, 53.256, 72.193 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 42.860 - 1.140 |
| R-factor | 0.13772 |
| Rwork | 0.136 |
| R-free | 0.17342 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | IN-HOUSE STRUCTURE |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.905 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.6.0112) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 42.860 | 1.240 |
| High resolution limit [Å] | 1.140 | 1.140 |
| Rmerge | 0.066 | 0.607 |
| Number of reflections | 44583 | |
| <I/σ(I)> | 10.27 | 2.04 |
| Completeness [%] | 97.9 | 94.3 |
| Redundancy | 6.16 | 5.71 |
| CC(1/2) | 0.999 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 295 |
