Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-G |
Synchrotron site | APS |
Beamline | 21-ID-G |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2021-12-17 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 0.9786 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 82.675, 82.675, 226.088 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 37.001 - 2.721 |
Rwork | 0.194 |
R-free | 0.24850 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.004 |
RMSD bond angle | 1.112 |
Data reduction software | autoPROC |
Data scaling software | autoPROC |
Phasing software | PHENIX |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 37.001 | 2.820 |
High resolution limit [Å] | 2.720 | 2.720 |
Number of reflections | 21910 | 2122 |
<I/σ(I)> | 25.79 | |
Completeness [%] | 99.9 | |
Redundancy | 2 | |
CC(1/2) | 0.999 | 0.878 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 282.15 | 25% PEG 3350, 0.2 M NH4SO4, 0.1 M Bis Tris methane pH 5.5 |