8U9J
The crystal structure of iron-bound human ADO C18S C239S variant at 2.02 Angstrom
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-BM |
| Synchrotron site | APS |
| Beamline | 19-BM |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2022-09-27 |
| Detector | ADSC QUANTUM 210r |
| Wavelength(s) | 0.97919 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 117.941, 55.198, 97.322 |
| Unit cell angles | 90.00, 114.10, 90.00 |
Refinement procedure
| Resolution | 46.840 - 2.020 |
| R-factor | 0.211 |
| Rwork | 0.208 |
| R-free | 0.25880 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.000 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.20.1-4487-000) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.040 |
| High resolution limit [Å] | 2.010 | 5.450 | 2.010 |
| Rmerge | 0.231 | 0.144 | 0.923 |
| Rmeas | 0.256 | 0.160 | 1.085 |
| Rpim | 0.110 | 0.068 | 0.557 |
| Total number of observations | 157446 | ||
| Number of reflections | 36519 | 1970 | 1528 |
| <I/σ(I)> | 5.1 | ||
| Completeness [%] | 96.7 | 99.8 | 82.2 |
| Redundancy | 4.3 | 4.6 | 2.8 |
| CC(1/2) | 0.984 | 0.975 | 0.663 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 289 | 0.2 M (NH4)2SO4, 0.1 M Bis-Tris pH 5.5, 20% w/v PEG 3350 |
