8BT3
Ribonucleotide Reductase class Ie R2 from Mesoplasma florum, catalytically active radical state solved by XFEL
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | FREE ELECTRON LASER |
| Source details | SLAC LCLS BEAMLINE MFX |
| Synchrotron site | SLAC LCLS |
| Beamline | MFX |
| Temperature [K] | 300 |
| Detector technology | CCD |
| Collection date | 2018-12-10 |
| Detector | RAYONIX MX340-HS |
| Wavelength(s) | 1.30177 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 142.985, 46.309, 58.514 |
| Unit cell angles | 90.00, 112.59, 90.00 |
Refinement procedure
| Resolution | 23.820 - 1.500 |
| R-factor | 0.1793 |
| Rwork | 0.177 |
| R-free | 0.21370 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.753 |
| Data reduction software | cctbx.xfel |
| Data scaling software | cxi.merge |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.18.2_3874) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 66.010 | 1.530 |
| High resolution limit [Å] | 1.500 | 1.500 |
| Number of reflections | 56800 | 2710 |
| <I/σ(I)> | 52.3 | 1.5 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 49.2 | 19.9 |
| CC(1/2) | 0.931 | 0.344 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | BATCH MODE | 294 | 50 mM calcium acetate, 20 mM ammonium sulphate and 20% (w/v) PEG 3350 |
