Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL19U1 |
Synchrotron site | SSRF |
Beamline | BL19U1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-12-27 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.97776 |
Spacegroup name | P 1 |
Unit cell lengths | 70.666, 76.326, 85.256 |
Unit cell angles | 101.75, 106.08, 113.75 |
Refinement procedure
Resolution | 29.940 - 2.400 |
R-factor | 0.1997 |
Rwork | 0.198 |
R-free | 0.23590 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6kd6 |
RMSD bond length | 0.004 |
RMSD bond angle | 0.571 |
Data reduction software | HKL-3000 |
Data scaling software | HKL-3000 |
Phasing software | PHENIX |
Refinement software | PHENIX (1.16_3549) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 2.490 |
High resolution limit [Å] | 2.400 | 2.400 |
Rmerge | 0.087 | 0.234 |
Number of reflections | 55088 | 5126 |
<I/σ(I)> | 13.1 | |
Completeness [%] | 96.3 | |
Redundancy | 3.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 290 | 0.1M Tris-HCl, pH 8.5and 25% PEG 3350 |