Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID29 |
Synchrotron site | ESRF |
Beamline | ID29 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2014-02-27 |
Detector | PSI PILATUS 6M |
Wavelength(s) | 0.987 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 168.940, 118.420, 74.300 |
Unit cell angles | 90.00, 112.32, 90.00 |
Refinement procedure
Resolution | 47.709 - 1.648 |
R-factor | 0.1622 |
Rwork | 0.161 |
R-free | 0.19050 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3e96 |
RMSD bond length | 0.010 |
RMSD bond angle | 1.298 |
Data reduction software | XDS |
Phasing software | MOLREP |
Refinement software | PHENIX (dev_1803) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 47.700 | 1.750 |
High resolution limit [Å] | 1.650 | 1.650 |
Rmerge | 0.070 | 0.580 |
Number of reflections | 159523 | |
<I/σ(I)> | 10 | 2 |
Completeness [%] | 98.1 | 95.6 |
Redundancy | 3.5 | 3.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 294 | BICINE, sodium formate, PEG MME 5000 |