3Q31
Structure of fungal alpha Carbonic Anhydrase from Aspergillus oryzae
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | MAX II BEAMLINE I911-2 |
| Synchrotron site | MAX II |
| Beamline | I911-2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-11-11 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 1.03796 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 80.240, 80.240, 247.480 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.801 - 2.703 |
| R-factor | 0.2112 |
| Rwork | 0.209 |
| R-free | 0.25320 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1kop |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.384 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | MOLREP |
| Refinement software | PHENIX ((phenix.refine: 1.5_2)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.800 |
| High resolution limit [Å] | 2.700 | 2.700 |
| Number of reflections | 22846 | |
| <I/σ(I)> | 11.43 | 2.7 |
| Completeness [%] | 98.6 | 98.4 |
| Redundancy | 6.14 | 6.14 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | 2.2M ammonium sulphate, 0.1M buffersystem II pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
