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 | 2019-10-19 |
Detector | PSI PILATUS 6M |
Wavelength(s) | 0.9184 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 55.423, 113.233, 68.457 |
Unit cell angles | 90.00, 93.52, 90.00 |
Refinement procedure
Resolution | 44.347 - 2.130 |
Rwork | 0.189 |
R-free | 0.24150 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6tby |
RMSD bond length | 0.020 |
RMSD bond angle | 2.469 |
Data reduction software | XDS (Mar 15 2019) |
Data scaling software | Aimless |
Phasing software | PHASES |
Refinement software | REFMAC (5.8.0257) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 44.350 | 2.190 |
High resolution limit [Å] | 2.130 | 2.130 |
Rmerge | 0.127 | 1.950 |
Rmeas | 0.151 | 2.306 |
Rpim | 0.080 | 0.875 |
Number of reflections | 46863 | 3828 |
<I/σ(I)> | 10 | 0.9 |
Completeness [%] | 99.5 | 99.8 |
Redundancy | 6.8 | 6.9 |
CC(1/2) | 0.998 | 0.318 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 283.15 | 0.05 M imidazole, 0.05 M MES, 0.02 M DL-Glutamatic acid monohydrate, 0.02 M DL-Alanine, 0.02M Glycine, 0.02 M DL-Lysine monohydrochloride, 0.02 M DL-Serine, 12% (v/v) Glycerol, 6% (w/v) PEG4000 |