Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SOLEIL BEAMLINE PROXIMA 1 |
Synchrotron site | SOLEIL |
Beamline | PROXIMA 1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2015-07-28 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.98010 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 94.691, 94.691, 240.850 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 82.000 - 2.520 |
R-factor | 0.2551 |
Rwork | 0.253 |
R-free | 0.28900 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5IUN |
RMSD bond length | 0.008 |
RMSD bond angle | 0.990 |
Data scaling software | Aimless (0.7.4) |
Refinement software | BUSTER (2.10.4) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 82.010 | 2.730 |
High resolution limit [Å] | 2.520 | 2.520 |
Rmeas | 0.085 | |
Rpim | 0.020 | |
Number of reflections | 34302 | 1709 |
<I/σ(I)> | 21.3 | 1.3 |
Completeness [%] | 79.6 | 18.9 |
Redundancy | 17.8 | |
CC(1/2) | 0.999 | 0.502 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 291 | PEG4000, PEG600, MgCl2, Tris, MES, Li2SO4, MgSO4, Glycerol, AMP-PCP |