6NLV
Selective inhibition of carbonic anhydrase IX activity, using compound SLC-149, displays limited anticancer effects in breast cancer cell lines
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | CHESS BEAMLINE F1 |
| Synchrotron site | CHESS |
| Beamline | F1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-12-20 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.9775 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 41.719, 41.110, 71.546 |
| Unit cell angles | 90.00, 103.65, 90.00 |
Refinement procedure
| Resolution | 19.766 - 1.794 |
| R-factor | 0.2187 |
| Rwork | 0.217 |
| R-free | 0.25540 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3ks3 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.496 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.10pre_2097) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 20.000 | 20.000 | 1.830 |
| High resolution limit [Å] | 1.800 | 4.860 | 1.800 |
| Rmerge | 0.078 | 0.036 | 0.204 |
| Rmeas | 0.099 | 0.045 | 0.259 |
| Rpim | 0.060 | 0.026 | 0.157 |
| Total number of observations | 51893 | ||
| Number of reflections | 21182 | 1076 | 887 |
| <I/σ(I)> | 7.4 | ||
| Completeness [%] | 95.2 | 91.7 | 80.9 |
| Redundancy | 2.4 | 2.5 | 2.1 |
| CC(1/2) | 0.997 | 0.896 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.8 | 298 | 1.6 M Sodium citrate, 50 mM Tris HCl, pH 7.8 |
