Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-G |
Synchrotron site | APS |
Beamline | 21-ID-G |
Temperature [K] | 93 |
Detector technology | PIXEL |
Collection date | 2013-11-20 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 1 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 62.386, 80.728, 65.893 |
Unit cell angles | 90.00, 106.92, 90.00 |
Refinement procedure
Resolution | 30.640 - 1.770 |
R-factor | 0.1746 |
Rwork | 0.173 |
R-free | 0.20310 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.009 |
RMSD bond angle | 1.001 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | PHENIX ((1.21.2_5419: ???)) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 1.840 |
High resolution limit [Å] | 1.770 | 3.830 | 1.780 |
Rmerge | 0.049 | 0.028 | 0.693 |
Number of reflections | 59857 | 6101 | 5905 |
<I/σ(I)> | 12.6 | ||
Completeness [%] | 99.1 | 99 | 98.3 |
Redundancy | 3.8 | 3.7 | 3.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 291 | 0.2M Lithium Sulfate, 0.1M Tris pH 8.5, 30% PEG4000 |