5CK0
BT4246
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-G |
| Synchrotron site | APS |
| Beamline | 21-ID-G |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2013-10-04 |
| Detector | MAR scanner 300 mm plate |
| Wavelength(s) | 0.979 |
| Spacegroup name | P 6 2 2 |
| Unit cell lengths | 156.216, 156.216, 114.704 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 46.228 - 1.996 |
| R-factor | 0.1881 |
| Rwork | 0.187 |
| R-free | 0.22650 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | Semet structure |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.972 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | PHENIX |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 46.230 | 2.068 |
| High resolution limit [Å] | 1.996 | 1.996 |
| Rmerge | 0.203 | 0.881 |
| Number of reflections | 55908 | |
| <I/σ(I)> | 8.03 | 1.66 |
| Completeness [%] | 99.3 | 96.63 |
| Redundancy | 4.7 | 4.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 277 | PEG 3350, KCl |
