Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04 |
Synchrotron site | Diamond |
Beamline | I04 |
Temperature [K] | 80 |
Detector technology | PIXEL |
Collection date | 2014-11-20 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 0.987 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 49.420, 169.082, 83.730 |
Unit cell angles | 90.00, 92.81, 90.00 |
Refinement procedure
Resolution | 83.630 - 3.500 |
R-factor | 0.237 |
Rwork | 0.235 |
R-free | 0.27110 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6GT1 |
RMSD bond length | 0.002 |
RMSD bond angle | 0.482 |
Data reduction software | iMOSFLM |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX (1.14_3260) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 83.630 | 3.720 |
High resolution limit [Å] | 3.500 | 3.500 |
Rmerge | 0.176 | |
Number of reflections | 17292 | 1698 |
<I/σ(I)> | 4.9 | |
Completeness [%] | 99.1 | |
Redundancy | 3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 291 | 0.02 M Sodium/potassium phosphate, 0.1 M Bis-Tris propane pH 6.5, 20 % w/v PEG 3350 |