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 | 2014-10-09 |
Detector | ADSC QUANTUM 270 |
Wavelength(s) | 0.9537 |
Spacegroup name | P 4 21 2 |
Unit cell lengths | 109.419, 109.419, 97.127 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 48.934 - 2.444 |
R-factor | 0.1923 |
Rwork | 0.189 |
R-free | 0.22860 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2p1l |
RMSD bond length | 0.007 |
RMSD bond angle | 0.796 |
Data reduction software | XDS (vNov 11, 2017) |
Data scaling software | XDS (vNov 11, 2017) |
Phasing software | PHASER |
Refinement software | PHENIX ((1.13_2998)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 48.934 | 2.505 |
High resolution limit [Å] | 2.444 | 2.444 |
Number of reflections | 22390 | |
<I/σ(I)> | 11.13 | |
Completeness [%] | 99.7 | |
Redundancy | 10.8 | |
CC(1/2) | 0.998 | 0.533 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 2M NaCl, 10% glycerol |