5CI3
Ribonucleotide reductase Y122 2,3,5-F3Y variant
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 24-ID-C |
| Synchrotron site | APS |
| Beamline | 24-ID-C |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2012-07 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.9795 |
| Spacegroup name | P 61 2 2 |
| Unit cell lengths | 92.216, 92.216, 207.044 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 43.436 - 2.401 |
| R-factor | 0.1682 |
| Rwork | 0.166 |
| R-free | 0.21180 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2alx |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.857 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.440 |
| High resolution limit [Å] | 2.400 | 2.400 |
| Rmerge | 0.050 | |
| Number of reflections | 20961 | |
| <I/σ(I)> | 30.3 | 1.4 |
| Completeness [%] | 98.7 | 91 |
| Redundancy | 9.7 | 6.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 8 | 293 | 1.1 M (NH4)2SO4, 0.9-1.2 M KCl, and 0.1 M Tris; 1:1 protein to precipitant; crystals grow over 1-3 days |
