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 | 65.300, 74.612, 78.100 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 53.950 - 2.650 |
Rwork | 0.209 |
R-free | 0.27780 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4loo |
RMSD bond length | 0.002 |
RMSD bond angle | 1.210 |
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] | 78.100 | 2.790 |
High resolution limit [Å] | 2.650 | 2.650 |
Rmerge | 0.075 | 0.397 |
Number of reflections | 10940 | 1395 |
<I/σ(I)> | 13.6 | 4.4 |
Completeness [%] | 94.1 | 84.1 |
Redundancy | 5.6 | 5.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 277 | 0.1M MAGNESIUM CHLORIDE HEXAHYDRATE, 0.1,M HEPES pH 7, 15 %w/v PEG 4000 |