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. |