Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX2 |
Synchrotron site | Australian Synchrotron |
Beamline | MX2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2016-04-26 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.95370 |
Spacegroup name | I 2 2 2 |
Unit cell lengths | 60.720, 81.850, 192.876 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 48.770 - 2.590 |
R-factor | 0.1869 |
Rwork | 0.184 |
R-free | 0.24090 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.002 |
RMSD bond angle | 0.548 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 48.770 | 2.687 |
High resolution limit [Å] | 2.590 | 2.590 |
Rmeas | 0.139 | |
Rpim | 0.422 | |
Number of reflections | 15265 | 1462 |
<I/σ(I)> | 12.17 | 1.54 |
Completeness [%] | 99.6 | 97.99 |
Redundancy | 8 | |
CC(1/2) | 0.707 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.88 | 293 | 20% PEG 3350 0.2M Na2HPO4/KH2PO4 |