Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 23-ID-D |
Synchrotron site | APS |
Beamline | 23-ID-D |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-04-07 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 1.2398 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 46.371, 97.012, 74.284 |
Unit cell angles | 90.00, 100.69, 90.00 |
Refinement procedure
Resolution | 45.566 - 1.770 |
R-factor | 0.1871 |
Rwork | 0.186 |
R-free | 0.21870 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5WF8 |
RMSD bond length | 0.007 |
RMSD bond angle | 0.856 |
Data reduction software | HKL-2000 (v715) |
Data scaling software | HKL-2000 (v715) |
Phasing software | PHASER (2.7.16) |
Refinement software | PHENIX ((1.11.1_2575: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.800 |
High resolution limit [Å] | 1.770 | 1.770 |
Rmerge | 0.069 | 0.326 |
Rpim | 0.033 | 0.152 |
Number of reflections | 57167 | 2821 |
<I/σ(I)> | 36.2 | 5 |
Completeness [%] | 90.9 | 91.1 |
Redundancy | 5.1 | 5.6 |
CC(1/2) | 0.972 | 0.976 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 5.5 | 293 | 20% PEG 3350, 10 mM MES pH 5.5 |