8OKO
Carbonic Anhydrase IX like mutant in Complex with Steriod_Sulphamoyl inhibitor AKI_2
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2021-05-04 |
Detector | DECTRIS PILATUS 300K |
Wavelength(s) | 1.45187 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 41.780, 41.140, 72.220 |
Unit cell angles | 90.00, 103.89, 90.00 |
Refinement procedure
Resolution | 40.560 - 1.250 |
R-factor | 0.14047 |
Rwork | 0.139 |
R-free | 0.17260 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 6yzx |
RMSD bond length | 0.010 |
RMSD bond angle | 1.619 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0103) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 1.280 |
High resolution limit [Å] | 1.250 | 5.590 | 1.250 |
Rmerge | 0.032 | 0.021 | 0.794 |
Rmeas | 0.037 | 0.023 | 1.024 |
Number of reflections | 59060 | 794 | 2586 |
<I/σ(I)> | 14.7 | ||
Completeness [%] | 89.3 | ||
Redundancy | 2.8 | ||
CC(1/2) | 0.999 | 0.999 | 0.484 |
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 |