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 | 2020-02-01 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.979257 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 65.320, 75.160, 78.670 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 54.345 - 2.140 |
Rwork | 0.201 |
R-free | 0.24410 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4loo |
RMSD bond length | 0.005 |
RMSD bond angle | 1.294 |
Data reduction software | iMOSFLM (7.2.2) |
Data scaling software | SCALA (3.3.22) |
Phasing software | PHASER (2.8.3) |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 78.670 | 2.260 |
High resolution limit [Å] | 2.140 | 2.140 |
Rmerge | 0.085 | 0.380 |
Number of reflections | 20793 | 2973 |
<I/σ(I)> | 10.6 | 3.2 |
Completeness [%] | 94.3 | 93.9 |
Redundancy | 5.5 | 5.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 277 | 0.1,M HEPES pH 7.5, 25,%w/v PEG 3350 |