Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALBA BEAMLINE XALOC |
Synchrotron site | ALBA |
Beamline | XALOC |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2016-09-30 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.979 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 44.450, 48.150, 73.750 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 32.682 - 1.500 |
Rwork | 0.155 |
R-free | 0.17460 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3dkx |
RMSD bond length | 0.014 |
RMSD bond angle | 1.905 |
Data reduction software | MOSFLM |
Data scaling software | pointless |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 32.660 | 32.660 |
High resolution limit [Å] | 1.500 | 1.500 |
Rmerge | 0.186 | 1.387 |
Rpim | 0.023 | |
Number of reflections | 26009 | 1268 |
<I/σ(I)> | 9.1 | |
Completeness [%] | 99.8 | |
Redundancy | 13.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 277 | 0.1 M Tri-sodium citrate pH 5.0 1M LiCl 30 % PEG 6000 |