Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 31-ID |
Synchrotron site | APS |
Beamline | 31-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2017-03-01 |
Detector | RAYONIX MX225HE |
Wavelength(s) | 0.97931 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 143.428, 152.919, 87.588 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 30.002 - 2.290 |
Rwork | 0.202 |
R-free | 0.23810 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.009 |
RMSD bond angle | 1.760 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 52.310 | 2.410 |
High resolution limit [Å] | 2.290 | 2.290 |
Rmerge | 1.512 | |
Rpim | 0.076 | |
Number of reflections | 85859 | 84922 |
<I/σ(I)> | 6.6 | |
Completeness [%] | 97.3 | |
Redundancy | 6.6 | |
CC(1/2) | 0.139 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | BATCH MODE | 293 | 50 mM sodium citrate, pH 5.6, 2% Tacsimate, pH 5.0, 5% PEG3350 |