Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I03 |
Synchrotron site | Diamond |
Beamline | I03 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2021-05-21 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.918395 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 84.546, 108.200, 124.610 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 58.750 - 1.850 |
Rwork | 0.205 |
R-free | 0.23400 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4s2p |
RMSD bond length | 0.009 |
RMSD bond angle | 1.435 |
Data reduction software | DIALS |
Data scaling software | Aimless |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 58.750 | 1.880 |
High resolution limit [Å] | 1.850 | 1.850 |
Number of reflections | 98044 | 4809 |
<I/σ(I)> | 6.6 | 1.1 |
Completeness [%] | 100.0 | |
Redundancy | 23.2 | |
CC(1/2) | 0.996 | 0.737 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 291 | 0.1M HEPES pH 7.5, 11.6% PEG8000, 8% 1-BuOH, mixed with the 10 mg/mL protein stock at 1:1 ratio. |