5BK9
AAD-1 Bound to the Vanadyl Ion and Succinate
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-F |
Synchrotron site | APS |
Beamline | 21-ID-F |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2018-10-28 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 0.9787 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 85.915, 97.868, 69.855 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 25.000 - 1.510 |
R-factor | 0.19661 |
Rwork | 0.196 |
R-free | 0.21739 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1gqw |
RMSD bond length | 0.007 |
RMSD bond angle | 1.160 |
Data reduction software | XDS |
Data scaling software | autoPROC |
Phasing software | PHENIX |
Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 25.000 | 1.540 |
High resolution limit [Å] | 1.510 | 1.510 |
Rmerge | 0.070 | |
Rmeas | 0.076 | |
Number of reflections | 92316 | 92316 |
<I/σ(I)> | 20.5 | |
Completeness [%] | 99.2 | 99.4 |
Redundancy | 13.8 | 8.2 |
CC(1/2) | 0.998 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 9 | 277 | 25% PEG 3350, 0.3 M Li2SO4, and 0.1 M bicine (pH 9.0). Ligands were soaked into crystals. |