9G38
CRYSTAL STRUCTURE OF HUMAN CARBONIC ANHYDRASE II IN COMPLEX WITH SALVIANOLIC ACID P
This is a non-PDB format compatible entry.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU PhotonJet-R |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2023-05-10 |
Detector | RIGAKU HyPix-6000HE |
Wavelength(s) | 1.54178 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 42.222, 41.268, 72.101 |
Unit cell angles | 90.00, 104.37, 90.00 |
Refinement procedure
Resolution | 34.950 - 1.200 |
R-factor | 0.13588 |
Rwork | 0.135 |
R-free | 0.15671 |
Structure solution method | FOURIER SYNTHESIS |
RMSD bond length | 0.013 |
RMSD bond angle | 2.009 |
Data reduction software | HKL-3000 |
Data scaling software | SCALEPACK |
Phasing software | REFMAC |
Refinement software | REFMAC (5.8.0425) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 34.950 | 1.220 |
High resolution limit [Å] | 1.200 | 1.200 |
Rmerge | 0.053 | 0.201 |
Rmeas | 0.063 | 0.258 |
Rpim | 0.033 | 0.160 |
Number of reflections | 68762 | 3236 |
<I/σ(I)> | 24.1 | |
Completeness [%] | 91.3 | 86.7 |
Redundancy | 2.7 | 2 |
CC(1/2) | 0.998 | 0.914 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8 | 293 | 1.3 M sodium citrate, 60 mM Tris-HCl |