Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS-II BEAMLINE 17-ID-2 |
Synchrotron site | NSLS-II |
Beamline | 17-ID-2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-04-10 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.92009 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 49.861, 144.128, 64.381 |
Unit cell angles | 90.00, 99.52, 90.00 |
Refinement procedure
Resolution | 34.000 - 1.950 |
R-factor | 0.2111 |
Rwork | 0.209 |
R-free | 0.24710 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 8e0p |
RMSD bond length | 0.007 |
RMSD bond angle | 1.405 |
Data reduction software | autoPROC |
Data scaling software | STARANISO |
Phasing software | PHASER (2.8.3) |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 34.364 | 2.120 |
High resolution limit [Å] | 1.947 | 1.947 |
Rmerge | 0.135 | 1.464 |
Rpim | 0.057 | 0.580 |
Number of reflections | 49930 | 2486 |
<I/σ(I)> | 8.5 | 1.3 |
Completeness [%] | 91.1 | |
Redundancy | 6.3 | |
CC(1/2) | 0.996 | 0.560 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 7 | 293 | 0.7 M magnesium formate, 0.1 M Bis-Tris propane, pH 7.0 |