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 | 2013-07-26 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.95370 |
Spacegroup name | P 3 1 2 |
Unit cell lengths | 105.501, 105.501, 35.132 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 35.132 - 2.151 |
R-factor | 0.1768 |
Rwork | 0.175 |
R-free | 0.20770 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4gxz |
RMSD bond length | 0.004 |
RMSD bond angle | 0.815 |
Data reduction software | XDS |
Data scaling software | Aimless (0.1.29) |
Phasing software | PHASER |
Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 45.680 | 45.680 | 2.220 |
High resolution limit [Å] | 2.150 | 8.860 | 2.150 |
Rmerge | 0.132 | 0.037 | 0.877 |
Rmeas | 0.135 | 0.038 | 0.899 |
Rpim | 0.029 | 0.009 | 0.194 |
Number of reflections | 12203 | 183 | 1027 |
<I/σ(I)> | 21.6 | ||
Completeness [%] | 99.7 | 97.7 | 97 |
Redundancy | 21.8 | 19 | 20.5 |
CC(1/2) | 0.999 | 0.999 | 0.919 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4.5 | 293 | 0.1M Sodium acetate trihydrate, 30% w/v PEG-mono methylether 5000 |