Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID23-1 |
Synchrotron site | ESRF |
Beamline | ID23-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2016-05-06 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 1.0 |
Spacegroup name | P 65 2 2 |
Unit cell lengths | 65.936, 65.936, 262.970 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 47.846 - 1.980 |
R-factor | 0.2013 |
Rwork | 0.200 |
R-free | 0.22490 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2hc4 |
RMSD bond length | 0.003 |
RMSD bond angle | 0.618 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHENIX |
Refinement software | PHENIX ((1.10.1_2155: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 47.850 | 2.050 |
High resolution limit [Å] | 1.980 | 1.980 |
Number of reflections | 24360 | |
<I/σ(I)> | 14.92 | 2.32 |
Completeness [%] | 98.0 | 100 |
Redundancy | 2 | 2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 295 | BisTris pH 6.5, 1.6 M lithium sulfate and 50 mM magnesium sulfate |