2XTK
ChiA1 from Aspergillus fumigatus in complex with acetazolamide
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-3 |
| Synchrotron site | ESRF |
| Beamline | ID14-3 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-04-11 |
| Detector | ADSC QUANTUM 4r |
| Spacegroup name | I 21 21 21 |
| Unit cell lengths | 76.638, 125.831, 211.688 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.800 - 2.000 |
| R-factor | 0.21752 |
| Rwork | 0.216 |
| R-free | 0.24886 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | AFCHIA1 APOSTRUCTURE TO BE DEPOSITED |
| RMSD bond length | 0.018 |
| RMSD bond angle | 1.549 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Refinement software | REFMAC (5.5.0088) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.050 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.080 | 0.520 |
| Number of reflections | 67879 | |
| <I/σ(I)> | 13.5 | 2.5 |
| Completeness [%] | 98.1 | 92.9 |
| Redundancy | 4 | 3.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 0.42-0.58 M NAH2PO4, 0.83-0.74 M K2HPO4 |
