Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE BM30A |
Synchrotron site | ESRF |
Beamline | BM30A |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-09-02 |
Detector | DECTRIS EIGER X 4M |
Wavelength(s) | 0.968 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 58.294, 58.294, 113.288 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 33.330 - 1.400 |
R-factor | 0.1667 |
Rwork | 0.165 |
R-free | 0.19700 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.007 |
RMSD bond angle | 0.899 |
Data reduction software | autoPROC |
Data scaling software | autoPROC |
Phasing software | PHASER |
Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 33.330 | 1.451 |
High resolution limit [Å] | 1.400 | 1.400 |
Number of reflections | 39031 | 3508 |
<I/σ(I)> | 8.55 | |
Completeness [%] | 99.0 | |
Redundancy | 7.7 | |
CC(1/2) | 0.996 | 0.497 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8 | 293.15 | 18 - 23 % PEG3350, 0.1 M TRIS-HCL |