8UAN
The crystal structure of cobalt-bound human ADO C18S C239S variant at 1.99 Angstrom
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 | 2022-12-07 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.97946 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 54.863, 95.920, 118.162 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 47.620 - 1.990 |
R-factor | 0.2015 |
Rwork | 0.198 |
R-free | 0.23540 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.008 |
RMSD bond angle | 0.989 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | PHENIX |
Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.020 |
High resolution limit [Å] | 1.990 | 6.590 | 1.990 |
Rmerge | 0.163 | 0.269 | 0.487 |
Rmeas | 0.177 | 0.276 | 0.531 |
Rpim | 0.069 | 0.056 | 0.208 |
Number of reflections | 21821 | 661 | 1061 |
<I/σ(I)> | 8.2 | ||
Completeness [%] | 99.7 | 99 | 98 |
Redundancy | 6.5 | 23.3 | 6.1 |
CC(1/2) | 0.960 | 0.995 | 0.916 |
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 |
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 |