7ZTF
Penicillium expansum antifungal protein B
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALBA BEAMLINE XALOC |
| Synchrotron site | ALBA |
| Beamline | XALOC |
| Temperature [K] | 83 |
| Detector technology | PIXEL |
| Collection date | 2019-12-19 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.97918 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 46.332, 46.332, 42.089 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 40.120 - 1.100 |
| R-factor | 0.1172 |
| Rwork | 0.116 |
| R-free | 0.13830 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6ha4 |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.513 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 40.125 | 42.089 | 1.160 |
| High resolution limit [Å] | 1.100 | 3.480 | 1.100 |
| Rmerge | 0.071 | 0.077 | |
| Rmeas | 0.065 | 0.073 | 0.079 |
| Rpim | 0.017 | 0.019 | 0.020 |
| Total number of observations | 337920 | 11468 | 47390 |
| Number of reflections | 21626 | 763 | 3112 |
| <I/σ(I)> | 40.1 | 48.1 | 30.5 |
| Completeness [%] | 100.0 | 100 | 100 |
| Redundancy | 15.6 | 15 | 15.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 294 | 30% jeffamine M60C, 10% DMSO |
