8OLK
Carbonic Anhydrase 2 in Complex with Steriod_Sulphamoyl AKI_13
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2021-04-30 |
Detector | DECTRIS PILATUS 200K |
Wavelength(s) | 1.45187 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 42.150, 41.340, 72.140 |
Unit cell angles | 90.00, 104.29, 90.00 |
Refinement procedure
Resolution | 35.580 - 1.270 |
R-factor | 0.13755 |
Rwork | 0.136 |
R-free | 0.16888 |
Structure solution method | FOURIER SYNTHESIS |
RMSD bond length | 0.009 |
RMSD bond angle | 1.537 |
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 | 1.300 |
High resolution limit [Å] | 1.270 | 5.670 | 1.270 |
Rmerge | 0.030 | 0.023 | 0.152 |
Rmeas | 0.034 | 0.025 | 0.212 |
Number of reflections | 60710 | 768 | 1921 |
<I/σ(I)> | 18.71 | ||
Completeness [%] | 94.9 | ||
Redundancy | 2.9 | ||
CC(1/2) | 0.999 | 0.999 | 0.943 |
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 |