Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE MASSIF-1 |
Synchrotron site | ESRF |
Beamline | MASSIF-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-10-17 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.9537 |
Spacegroup name | H 3 |
Unit cell lengths | 150.100, 150.100, 50.060 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 30.000 - 1.750 |
Rwork | 0.163 |
R-free | 0.21850 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4r2x |
RMSD bond length | 0.015 |
RMSD bond angle | 2.226 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 1.800 |
High resolution limit [Å] | 1.750 | 1.750 |
Number of reflections | 41245 | 3140 |
<I/σ(I)> | 11.1 | |
Completeness [%] | 97.2 | |
Redundancy | 2.6 | |
CC(1/2) | 0.890 | 0.670 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | 0.2 M Potassium sulfate, 20% w/v Polyethylene glycol 3,350 |