Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 8.3.1 |
Synchrotron site | ALS |
Beamline | 8.3.1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-05-31 |
Detector | DECTRIS PILATUS3 S 6M |
Wavelength(s) | 1.11583 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 161.166, 160.159, 198.502 |
Unit cell angles | 90.00, 109.97, 90.00 |
Refinement procedure
Resolution | 151.474 - 2.503 |
R-factor | 0.2003 |
Rwork | 0.198 |
R-free | 0.24620 |
RMSD bond length | 0.006 |
RMSD bond angle | 0.837 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | MOLREP |
Refinement software | PHENIX ((1.12_2829: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 152.000 | 2.660 |
High resolution limit [Å] | 2.500 | 2.500 |
Number of reflections | 632259 | |
<I/σ(I)> | 7.99 | |
Completeness [%] | 98.2 | |
Redundancy | 3.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 298 | 45% MPD, 0.2 M Na formate |