6NM0
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 | SSRL BEAMLINE BL9-2 |
Synchrotron site | SSRL |
Beamline | BL9-2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-12-08 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.987 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 42.562, 41.529, 72.027 |
Unit cell angles | 90.00, 104.27, 90.00 |
Refinement procedure
Resolution | 30.625 - 1.440 |
R-factor | 0.1671 |
Rwork | 0.166 |
R-free | 0.18030 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3ks3 |
RMSD bond length | 0.010 |
RMSD bond angle | 1.849 |
Data reduction software | XDS |
Data scaling software | Aimless (0.3.11) |
Phasing software | PHENIX |
Refinement software | PHENIX (1.10pre_2097) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 38.970 | 38.970 | 2.690 |
High resolution limit [Å] | 1.440 | 8.940 | 2.580 |
Rmerge | 0.061 | 0.033 | 1.000 |
Rmeas | 0.075 | 0.039 | 1.290 |
Rpim | 0.042 | 0.021 | 0.802 |
Number of reflections | 39673 | 647 | 2187 |
<I/σ(I)> | 8.9 | ||
Completeness [%] | 91.9 | 98.3 | 73 |
Redundancy | 2.7 | 3.2 | 1.9 |
CC(1/2) | 0.997 | 0.997 | 0.777 |
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 |