Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I03 |
Synchrotron site | Diamond |
Beamline | I03 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2020-06-19 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.9763 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 62.410, 65.080, 82.900 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 45.040 - 1.550 |
Rwork | 0.167 |
R-free | 0.18620 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6zbp |
RMSD bond length | 0.006 |
RMSD bond angle | 1.315 |
Data reduction software | xia2 |
Data scaling software | xia2 |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 45.040 | 1.590 |
High resolution limit [Å] | 1.550 | 1.550 |
Rmerge | 0.083 | 1.243 |
Number of reflections | 48875 | 3509 |
<I/σ(I)> | 18.3 | 2.2 |
Completeness [%] | 98.5 | 97.1 |
Redundancy | 13.5 | 13.2 |
CC(1/2) | 0.999 | 0.746 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.1 M HEPES, pH 7.5 and 20% w/v PEG 8000 |