Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | CHESS BEAMLINE F1 |
Synchrotron site | CHESS |
Beamline | F1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-04-10 |
Detector | DECTRIS PILATUS 2M |
Wavelength(s) | 0.976800 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 138.622, 149.719, 65.488 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 50.000 - 1.440 |
Rwork | 0.162 |
R-free | 0.18580 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4mj0 |
RMSD bond length | 0.015 |
RMSD bond angle | 1.851 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.490 |
High resolution limit [Å] | 1.440 | 1.440 |
Rpim | 0.029 | 0.562 |
Number of reflections | 245801 | 24335 |
<I/σ(I)> | 16.4 | 1.3 |
Completeness [%] | 99.9 | 99.8 |
Redundancy | 13.2 | 11.8 |
CC(1/2) | 0.999 | 0.620 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 298 | 10% PEG 3350, 0.2 M NaJ, 0.1 M bis-tris pH 5.5 |