8JCT
Crystal structure of fungal cutinase from Aspergillus fumigatiaffinis
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PAL/PLS BEAMLINE 7A (6B, 6C1) |
| Synchrotron site | PAL/PLS |
| Beamline | 7A (6B, 6C1) |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2022-09-27 |
| Detector | ADSC QUANTUM 270 |
| Wavelength(s) | 0.97934 |
| Spacegroup name | H 3 2 |
| Unit cell lengths | 63.053, 63.053, 215.316 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 33.840 - 2.800 |
| R-factor | 0.17735 |
| Rwork | 0.172 |
| R-free | 0.27537 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4ohy |
| RMSD bond length | 0.004 |
| RMSD bond angle | 1.175 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.8.0405) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.850 |
| High resolution limit [Å] | 2.800 | 7.590 | 2.800 |
| Rmerge | 0.107 | 0.060 | 0.307 |
| Rmeas | 0.119 | 0.067 | 0.369 |
| Rpim | 0.051 | 0.028 | 0.200 |
| Total number of observations | 18705 | ||
| Number of reflections | 4184 | 247 | 205 |
| <I/σ(I)> | 8.9 | ||
| Completeness [%] | 96.4 | 96.9 | 95.8 |
| Redundancy | 4.5 | 5.3 | 2.7 |
| CC(1/2) | 0.984 | 0.995 | 0.703 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 295 | 25% PEG3350, 0.1 M HEPES pH7.5 |
