Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SOLEIL BEAMLINE PROXIMA 1 |
Synchrotron site | SOLEIL |
Beamline | PROXIMA 1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-12-14 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.97918 |
Spacegroup name | P 1 |
Unit cell lengths | 57.572, 64.472, 67.590 |
Unit cell angles | 96.35, 101.95, 97.27 |
Refinement procedure
Resolution | 32.730 - 1.900 |
Rwork | 0.169 |
R-free | 0.21320 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1fat |
RMSD bond length | 0.014 |
RMSD bond angle | 1.846 |
Data reduction software | XDS |
Data scaling software | Aimless (0.7.4) |
Phasing software | PHASER (2.8.3) |
Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 32.732 | 1.940 |
High resolution limit [Å] | 1.900 | 1.900 |
Rmerge | 0.073 | 0.529 |
Rpim | 0.049 | 0.372 |
Number of reflections | 73400 | 4491 |
<I/σ(I)> | 11 | 2.8 |
Completeness [%] | 99.7 | 98.8 |
Redundancy | 6.2 | 5.7 |
CC(1/2) | 0.997 | 0.902 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 292 | 15% Peg smear low 100mM Tris pH 7.5 PEG to 30% for cryoprotection |