7YOS
Recj2 and Mn complex from Methanocaldococcus jannaschii
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL17U |
| Synchrotron site | SSRF |
| Beamline | BL17U |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-05-03 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.9791 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 83.910, 175.820, 66.190 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 48.047 - 2.170 |
| R-factor | 0.206 |
| Rwork | 0.205 |
| R-free | 0.24010 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 7yik |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.894 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.5.32) |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.11.1_2575) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 175.820 | 175.820 | 2.230 |
| High resolution limit [Å] | 2.170 | 9.700 | 2.170 |
| Rmerge | 0.087 | 0.043 | 0.667 |
| Rmeas | 0.098 | 0.051 | 0.746 |
| Rpim | 0.044 | 0.026 | 0.327 |
| Total number of observations | 2331 | 19055 | |
| Number of reflections | 98625 | 625 | 3860 |
| <I/σ(I)> | 12.6 | 26.5 | 2.8 |
| Completeness [%] | 99.7 | 91.2 | 100 |
| Redundancy | 4.8 | 3.7 | 4.9 |
| CC(1/2) | 0.996 | 0.993 | 0.788 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 12% PEG 400, 50mM HEPES pH 7.6 |
