6VLP
Hop phytocystatin in space group C2221
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | LNLS BEAMLINE W01B-MX2 |
| Synchrotron site | LNLS |
| Beamline | W01B-MX2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-05-11 |
| Detector | DECTRIS PILATUS 2M |
| Wavelength(s) | 1.45 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 42.551, 63.280, 72.383 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 28.990 - 1.681 |
| Rwork | 0.191 |
| R-free | 0.20920 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4tx4 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.952 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | PHENIX (v1.16-3549) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 28.990 | 1.741 |
| High resolution limit [Å] | 1.681 | 1.681 |
| Rmerge | 0.020 | 0.467 |
| Rmeas | 0.028 | 0.660 |
| Number of reflections | 11170 | 1011 |
| <I/σ(I)> | 21.64 | |
| Completeness [%] | 97.4 | 89.62 |
| Redundancy | 2 | 2 |
| CC(1/2) | 1.000 | 0.629 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | 30% w/v PEG8000, 100 mM sodium cacodylate, pH 6.5, 200 mM sodium acetate trihydrate |
