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 | 2015-08-29 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.91841 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 64.063, 123.671, 38.688 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 44.491 - 2.579 |
R-factor | 0.2057 |
Rwork | 0.203 |
R-free | 0.26270 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5LHO |
RMSD bond length | 0.002 |
RMSD bond angle | 0.524 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 44.490 | 2.671 |
High resolution limit [Å] | 2.579 | 2.579 |
Rmerge | 0.167 | 1.045 |
Number of reflections | 10043 | |
<I/σ(I)> | 6.5 | 1.56 |
Completeness [%] | 98.3 | 98.25 |
Redundancy | 3.9 | 4.1 |
CC(1/2) | 0.989 | 0.506 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 291 | MES, PEG 8000, ethylene glycol |