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 | 2020-02-09 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.89842 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 73.832, 133.200, 147.089 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 98.928 - 2.641 |
Rwork | 0.220 |
R-free | 0.22160 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.008 |
RMSD bond angle | 1.625 |
Data reduction software | xia2 |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0425) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 133.200 | 133.200 | 2.720 |
High resolution limit [Å] | 2.620 | 9.800 | 2.620 |
Rmerge | 0.300 | 0.066 | 2.803 |
Rmeas | 0.323 | 0.071 | 3.011 |
Rpim | 0.120 | 0.026 | 1.098 |
Number of reflections | 43095 | 981 | 4611 |
<I/σ(I)> | 6.2 | 21.5 | 0.7 |
Completeness [%] | 96.9 | ||
Redundancy | 13.6 | 12.3 | 14.4 |
CC(1/2) | 0.994 | 0.999 | 0.718 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 277 | Protein at 10 mg/ml. 0.6 to 0.8 M KCl, 0.9 to 1.2 M (NH4)2SO4, and 100 mM HEPES pH 7.0 |