5O3W
Structural characterization of the fast and promiscuous macrocyclase from plant - PCY1-S562A bound to Presegetalin A1
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04-1 |
| Synchrotron site | Diamond |
| Beamline | I04-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-08-01 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.920 |
| Spacegroup name | P 1 |
| Unit cell lengths | 60.080, 88.600, 144.950 |
| Unit cell angles | 93.00, 99.32, 90.05 |
Refinement procedure
| Resolution | 77.070 - 2.000 |
| R-factor | 0.22296 |
| Rwork | 0.221 |
| R-free | 0.25625 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | apo PCY1 |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.640 |
| 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] | 77.070 |
| High resolution limit [Å] | 2.000 |
| Number of reflections | 183511 |
| <I/σ(I)> | 4.8 |
| Completeness [%] | 97.0 |
| Redundancy | 1.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293.15 | PCY1-S562A complex with PresegA1 was crystallized at 13.3 mg/mL with 0.163 mM PresegA1 in 28% (w/v) PEG 5000 MME, 140 mM Mg acetate tetrahydrate and 0.1 M Tris pH 7.5. For cryo protection 7% (v/v) glycerol were added to reservoir solution. |
