Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE MASSIF-1 |
Synchrotron site | ESRF |
Beamline | MASSIF-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2015-03-13 |
Detector | DECTRIS PILATUS3 2M |
Wavelength(s) | 0.965000 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 55.390, 75.300, 117.410 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 46.340 - 2.800 |
R-factor | 0.19129 |
Rwork | 0.189 |
R-free | 0.24013 |
RMSD bond length | 0.010 |
RMSD bond angle | 1.797 |
Data reduction software | iMOSFLM |
Data scaling software | Aimless |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 46.300 | 2.900 |
High resolution limit [Å] | 2.800 | 2.800 |
Rmerge | 0.106 | 0.362 |
Rmeas | 0.133 | 0.454 |
Rpim | 0.079 | 0.270 |
Number of reflections | 12543 | |
<I/σ(I)> | 14.26 | |
Completeness [%] | 98.9 | |
Redundancy | 4 | 4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 298 | 0.1M sodium acetate trihydrate pH 4.0, 1,6M ammonium sulphate, 21mM ZnCl2 |