Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | BESSY BEAMLINE 14.1 |
Synchrotron site | BESSY |
Beamline | 14.1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2014-07-26 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.918 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 134.044, 302.010, 143.840 |
Unit cell angles | 90.00, 112.55, 90.00 |
Refinement procedure
Resolution | 50.010 - 3.000 |
R-factor | 0.1769 |
Rwork | 0.174 |
R-free | 0.22690 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1ryp |
RMSD bond length | 0.009 |
RMSD bond angle | 1.064 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | MOLREP |
Refinement software | PHENIX (1.11.1_2575) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.010 | 3.107 |
High resolution limit [Å] | 3.000 | 3.000 |
Rmerge | 0.197 | |
Number of reflections | 210084 | 20926 |
<I/σ(I)> | 5.2 | |
Completeness [%] | 99.9 | 99.9 |
Redundancy | 3.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | 0.1M MES pH 6.5, 35mM magnesium acetate, 13% MPD |