Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL19U1 |
Synchrotron site | SSRF |
Beamline | BL19U1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2023-09-05 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.987 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 76.984, 83.841, 59.184 |
Unit cell angles | 90.00, 101.91, 90.00 |
Refinement procedure
Resolution | 28.960 - 1.495 |
R-factor | 0.1668 |
Rwork | 0.166 |
R-free | 0.18470 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.006 |
RMSD bond angle | 0.854 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | PHENIX ((1.13_2998: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 28.960 | 1.550 |
High resolution limit [Å] | 1.459 | 1.500 |
Number of reflections | 58485 | 5563 |
<I/σ(I)> | 2 | |
Completeness [%] | 98.5 | |
Redundancy | 5 | |
CC(1/2) | 0.987 | 0.884 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 291.15 | 0.2M MgCl2, 0.1M sodium citrate (pH 5.0), 10% PEG 20000 |