5O3U
Structural characterization of the fast and promiscuous macrocyclase from plant - PCY1-S562A bound to Presegetalin F1
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I24 |
| Synchrotron site | Diamond |
| Beamline | I24 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-04-28 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.9785 |
| Spacegroup name | P 1 |
| Unit cell lengths | 64.860, 85.820, 137.870 |
| Unit cell angles | 87.64, 78.32, 89.52 |
Refinement procedure
| Resolution | 73.720 - 1.860 |
| R-factor | 0.19445 |
| Rwork | 0.193 |
| R-free | 0.22338 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | apo PCY1 |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.441 |
| Data reduction software | xia2 |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 73.720 |
| High resolution limit [Å] | 1.860 |
| Number of reflections | 222236 |
| <I/σ(I)> | 7.8 |
| Completeness [%] | 95.8 |
| Redundancy | 3.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293.15 | PCY1-S562A complex with PresegF1 was crystallized at 13.0 mg/mL with 0.161.3 mM PresegB1 in 27% (w/v) PEG 3350, 100 mM Ca chloride and 0.1 M Bis-Tris at pH 6.5. For cryo protection 10 % (v/v) glycerol were added to reservoir solution. |
