Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 24-ID-C |
Synchrotron site | APS |
Beamline | 24-ID-C |
Temperature [K] | 80 |
Detector technology | PIXEL |
Collection date | 2020-10-09 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 0.97911 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 69.290, 103.852, 78.992 |
Unit cell angles | 90.00, 111.54, 90.00 |
Refinement procedure
Resolution | 42.400 - 2.900 |
R-factor | 0.2407 |
Rwork | 0.237 |
R-free | 0.27950 |
Structure solution method | SAD |
RMSD bond length | 0.003 |
RMSD bond angle | 0.581 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHENIX |
Refinement software | PHENIX (1.19.1_4122) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 42.400 | 3.070 |
High resolution limit [Å] | 2.900 | 2.900 |
Rpim | 0.060 | 0.431 |
Number of reflections | 23133 | 3645 |
<I/σ(I)> | 12.7 | 3.2 |
Completeness [%] | 99.5 | |
Redundancy | 26.5 | |
CC(1/2) | 0.998 | 0.941 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.6 | 291 | 150 mM DL-malic acid (pH 7.6), 16% PEG-3350, and 10% Silver Bullets A1 solution (1,5-Naphthalenedisulfonic acid disodium salt, 2,5-Pyridinedicarboxylic acid, 3,5-Dinitrosalicylic acid, HEPES-NaOH pH 6.8) (Hampton) |