8OMN
Carbonic Anhydrase II in Complex with Steriod_Sulphamoyl VK4
This is a non-PDB format compatible entry.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2020-12-18 |
Detector | DECTRIS PILATUS 300K |
Wavelength(s) | 1.54187 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 42.140, 41.370, 72.080 |
Unit cell angles | 90.00, 104.39, 90.00 |
Refinement procedure
Resolution | 35.590 - 1.400 |
R-factor | 0.16401 |
Rwork | 0.163 |
R-free | 0.19003 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 6yzx |
RMSD bond length | 0.010 |
RMSD bond angle | 1.539 |
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 | 1.440 |
High resolution limit [Å] | 1.400 | 6.260 | 1.400 |
Rmerge | 0.054 | 0.039 | 0.309 |
Rmeas | 0.061 | 0.043 | 0.425 |
Number of reflections | 41309 | 571 | 890 |
<I/σ(I)> | 12.54 | ||
Completeness [%] | 86.7 | ||
Redundancy | 3.4 | ||
CC(1/2) | 0.998 | 0.998 | 0.812 |
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 |