8IAG
Crystal structure of rDcaUPO A161C mutant from Daldinia caldariorum
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL18U1 |
Synchrotron site | SSRF |
Beamline | BL18U1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2022-11-24 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.9779 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 74.558, 107.520, 120.016 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 40.041 - 1.500 |
R-factor | 0.142880751083 |
Rwork | 0.143 |
R-free | 0.15513 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.008 |
RMSD bond angle | 1.210 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | PHENIX (1.9_1692+SVN) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 61.270 | 1.550 |
High resolution limit [Å] | 1.470 | 1.470 |
Number of reflections | 81310 | 11621 |
<I/σ(I)> | 22.3 | |
Completeness [%] | 99.8 | |
Redundancy | 11.8 | |
CC(1/2) | 0.999 | 0.876 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 279 | 10% (w/v) PEG 3350, 100 mM Imidazole/Hydrochloric acid, pH 6.5, 200 mM Ammonium sulfate, 30% (v/v) 2-Methyl-2,4-pentanediol |