8OKE
Carbonic Anhydrase IX like mutant in Complex with Steriod_Sulphamoyl inhibitor AKI_1
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | BESSY BEAMLINE 14.1 |
Synchrotron site | BESSY |
Beamline | 14.1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2021-05-18 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.9184 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 41.870, 41.210, 72.200 |
Unit cell angles | 90.00, 103.85, 90.00 |
Refinement procedure
Resolution | 40.650 - 1.050 |
R-factor | 0.14344 |
Rwork | 0.143 |
R-free | 0.17044 |
Structure solution method | AB INITIO PHASING |
RMSD bond length | 0.011 |
RMSD bond angle | 1.708 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | MLPHARE |
Refinement software | REFMAC (5.8.0103) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 1.080 |
High resolution limit [Å] | 1.050 | 4.700 | 1.050 |
Rmerge | 0.071 | 0.023 | 2.033 |
Rmeas | 0.077 | 0.024 | 2.338 |
Number of reflections | 217683 | 2442 | 15222 |
<I/σ(I)> | 10.76 | ||
Completeness [%] | 99.5 | ||
Redundancy | 6.3 | ||
CC(1/2) | 0.999 | 1.000 | 0.310 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.8 | 291 | 1.6 M sodium citrate, 50 mM Tris-H2SO4 |