7C5V
Crystal structure of the iota-carbonic anhydrase from cyanobacterium complexed with bicarbonate
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PHOTON FACTORY BEAMLINE BL-1A |
Synchrotron site | Photon Factory |
Beamline | BL-1A |
Temperature [K] | 95 |
Detector technology | PIXEL |
Collection date | 2019-12-02 |
Detector | DECTRIS EIGER X 4M |
Wavelength(s) | 1.9000 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 52.841, 83.734, 87.267 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 45.200 - 2.650 |
R-factor | 0.2099 |
Rwork | 0.207 |
R-free | 0.26310 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 7c5w |
RMSD bond length | 0.007 |
RMSD bond angle | 0.917 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | MOLREP |
Refinement software | PHENIX (1.18_3845) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 45.200 | 2.790 |
High resolution limit [Å] | 2.650 | 2.650 |
Rmerge | 0.094 | 0.694 |
Number of reflections | 21732 | 3090 |
<I/σ(I)> | 12.49 | 2.39 |
Completeness [%] | 100.0 | 100 |
Redundancy | 7 | 7.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 293 | 2.4 M sodium malonate pH 7.0 |