Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | BESSY BEAMLINE 14.1 |
Synchrotron site | BESSY |
Beamline | 14.1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2015-10-17 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.9184 |
Spacegroup name | P 2 21 21 |
Unit cell lengths | 72.476, 193.920, 230.219 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 20.000 - 2.680 |
R-factor | 0.17375 |
Rwork | 0.171 |
R-free | 0.22398 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4nnj |
RMSD bond length | 0.018 |
RMSD bond angle | 1.973 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0155) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | |
High resolution limit [Å] | 2.680 | 2.680 |
Rmerge | 0.887 | |
Number of reflections | 91638 | |
<I/σ(I)> | 10.5 | |
Completeness [%] | 99.0 | |
Redundancy | 4.5 | |
CC(1/2) | 0.992 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6 | 293 | 0.2M lithium sulfate, 0.1M bis-tris, 15% peg 3350 |