Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 19-ID |
Synchrotron site | APS |
Beamline | 19-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2015-06-19 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.97929 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 28.470, 72.166, 62.547 |
Unit cell angles | 90.00, 101.77, 90.00 |
Refinement procedure
Resolution | 46.690 - 1.780 |
R-factor | 0.196 |
Rwork | 0.194 |
R-free | 0.24800 |
Starting model (for MR) | 3TKZ AND 4XZ0 |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | REFMAC |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 46.690 | 1.820 |
High resolution limit [Å] | 1.780 | 1.780 |
Rmerge | 0.076 | 0.526 |
Number of reflections | 23333 | |
<I/σ(I)> | 11.2 | 1.4 |
Completeness [%] | 98.5 | 95.9 |
Redundancy | 3.9 | 3.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 291 | 20% PEG-3350, 0.2 M ammonium formate |