5O3V
Structural characterization of the fast and promiscuous macrocyclase from plant - PCY1-S562A bound to Presegetalin B1
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 2 1 |
| Unit cell lengths | 88.860, 65.200, 140.170 |
| Unit cell angles | 90.00, 95.91, 90.00 |
Refinement procedure
| Resolution | 47.620 - 2.170 |
| R-factor | 0.21732 |
| Rwork | 0.216 |
| R-free | 0.24803 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.257 |
| 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] | 47.620 |
| High resolution limit [Å] | 2.170 |
| Number of reflections | 80090 |
| <I/σ(I)> | 10.9 |
| Completeness [%] | 99.5 |
| Redundancy | 3.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293.15 | PCY1-S562A complex with PresegB1 was crystallized at 13.3 mg/mL with 0.163 mM PresegB1 in 34.5% (w/v) PEG 3350 and 70 mM Mg sulfate. For cryo protection 5 % (v/v) glycerol were added to reservoir solution. |
