7REI
The crystal structure of nickel bound human ADO C18S C239S variant
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL9-2 |
| Synchrotron site | SSRL |
| Beamline | BL9-2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-06-17 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.97946 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 54.881, 95.764, 117.614 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 47.620 - 1.780 |
| R-factor | 0.1821 |
| Rwork | 0.180 |
| R-free | 0.20930 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | customized ensenble |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.908 |
| Data reduction software | DENZO |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.19.2) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.810 |
| High resolution limit [Å] | 1.780 | 4.830 | 1.780 |
| Rmerge | 0.110 | 0.045 | 1.004 |
| Rmeas | 0.114 | 0.047 | 1.056 |
| Rpim | 0.032 | 0.013 | 0.319 |
| Total number of observations | 377079 | ||
| Number of reflections | 29671 | 1608 | 1429 |
| <I/σ(I)> | 5.7 | ||
| Completeness [%] | 99.4 | 99 | 97.9 |
| Redundancy | 12.7 | 12.8 | 10.2 |
| CC(1/2) | 0.999 | 0.790 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 289 | 0.2 M LiSO4, 0.1 M Bis-Tris pH 5.5, 20% w/v PEG 3350 |
