5O3X
Structural characterization of the fast and promiscuous macrocyclase from plant - apo PCY1
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2015-12-17 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.9795 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 275.580, 60.850, 88.040 |
| Unit cell angles | 90.00, 92.65, 90.00 |
Refinement procedure
| Resolution | 87.950 - 2.550 |
| R-factor | 0.21882 |
| Rwork | 0.216 |
| R-free | 0.26303 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1qfs |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.242 |
| 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] | 87.950 |
| High resolution limit [Å] | 2.550 |
| Number of reflections | 44824 |
| <I/σ(I)> | 11.5 |
| Completeness [%] | 98.3 |
| Redundancy | 3.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293.15 | 12.2 mg/mL PCY1 in 33% (w/v) PEG 2000, 113.75 mM Mg formate and 0.1 M Na cacodylate pH 7.0. For cryo protection 10% (v/v) glycerol were added to reservoir solution. |
