5C23
Parkin (S65DUblR0RBR)
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 | 2015-02-09 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | .9172 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 66.279, 66.290, 205.639 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 23.160 - 2.370 |
| R-factor | 0.2209 |
| Rwork | 0.220 |
| R-free | 0.24060 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5c1z |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.870 |
| Data reduction software | iMOSFLM |
| Data scaling software | SCALA |
| Phasing software | BALBES |
| Refinement software | BUSTER (2.10.2) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 23.160 | 2.460 |
| High resolution limit [Å] | 2.370 | 2.370 |
| Rmerge | 0.170 | 1.170 |
| Number of reflections | 35690 | |
| <I/σ(I)> | 7.7 | |
| Completeness [%] | 99.8 | 98.8 |
| Redundancy | 5.7 | 5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 5.5 | 277 | PEG3350, LiSO4 |
