3C6V
Crystal structure of AU4130/APC7354, a probable enzyme from the thermophilic fungus Aspergillus fumigatus
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2006-12-02 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.97931 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 59.136, 66.913, 128.507 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 44.320 - 1.900 |
| R-factor | 0.15932 |
| Rwork | 0.157 |
| R-free | 0.19689 |
| Structure solution method | SAD |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.473 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | SHELXCD |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.920 |
| High resolution limit [Å] | 1.850 | 1.850 |
| Rmerge | 0.086 | 0.370 |
| Number of reflections | 43671 | |
| <I/σ(I)> | 59.7 | 7.7 |
| Completeness [%] | 99.7 | 97.9 |
| Redundancy | 9 | 5.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 295 | 2 M Ammonium sulfate, 100 mM Tris-HCl pH 8.5, 0.3M NDSB 221, 2mM L-Cysteine. Cryoprotected with Paratone-N oil, VAPOR DIFFUSION, HANGING DROP, temperature 295K |
