Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 24-ID-E |
Synchrotron site | APS |
Beamline | 24-ID-E |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2015-07-10 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.97921 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 47.757, 72.175, 66.142 |
Unit cell angles | 90.00, 97.61, 90.00 |
Refinement procedure
Resolution | 25.550 - 2.050 |
R-factor | 0.2045 |
Rwork | 0.203 |
R-free | 0.24040 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 3ku2 |
RMSD bond length | 0.009 |
RMSD bond angle | 0.920 |
Data reduction software | XDS |
Data scaling software | Aimless (0.5.15) |
Refinement software | BUSTER (2.10.2) |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 72.180 |
High resolution limit [Å] | 2.050 |
Number of reflections | 27510 |
<I/σ(I)> | 0.05 |
Completeness [%] | 98.3 |
Redundancy | 3.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 298 | PEG 3350, di Sodium-Tart |