8OKQ
Carbonic Anhydrase 2 in Complex with Steriod_Sulphamoyl AKI_2
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 | 2021-05-12 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.9184 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 42.250, 41.270, 72.370 |
Unit cell angles | 90.00, 104.37, 90.00 |
Refinement procedure
Resolution | 39.920 - 1.000 |
R-factor | 0.16799 |
Rwork | 0.168 |
R-free | 0.17912 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 6yzx |
RMSD bond length | 0.011 |
RMSD bond angle | 1.654 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0103) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.030 |
High resolution limit [Å] | 1.000 | 1.000 |
Number of reflections | 130194 | 9492 |
<I/σ(I)> | 15.2 | |
Completeness [%] | 99.9 | |
Redundancy | 3.2 | |
CC(1/2) | 0.980 | 0.650 |
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 |