4CNW
Surface residue engineering of bovine carbonic anhydrase to an extreme halophilic enzyme for potential application in postcombustion CO2 capture
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX1 |
Synchrotron site | Australian Synchrotron |
Beamline | MX1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2012-12-20 |
Detector | ADSC CCD |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 42.167, 134.314, 46.755 |
Unit cell angles | 90.00, 104.04, 90.00 |
Refinement procedure
Resolution | 38.000 - 2.030 |
R-factor | 0.21685 |
Rwork | 0.215 |
R-free | 0.25887 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3ml2 |
RMSD bond length | 0.009 |
RMSD bond angle | 1.269 |
Data reduction software | XDS |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 45.400 | 2.140 |
High resolution limit [Å] | 2.030 | 2.030 |
Rmerge | 0.070 | 0.180 |
Number of reflections | 30083 | |
<I/σ(I)> | 22.9 | 10.8 |
Completeness [%] | 92.4 | 96.1 |
Redundancy | 7.5 | 7.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 8 | PROTEIN WAS AT 10 MG/ML. THE RESERVOIR CONDITIONS WERE: 25% PEG MME 2000, 200 MM CALCIUM ACETATE, 50 MM TRIS BUFFER PH 8.0. THE CRYSTALS WERE OBTAINED THROUGH CROSS SEEDING FROM A DIFFERENT MUTANT CA-II CRYSTAL. |