8E2S
Crystal structure of TadAC-1.19
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1) |
Synchrotron site | PETRA III, EMBL c/o DESY |
Beamline | P13 (MX1) |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2021-08-21 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.97626 |
Spacegroup name | P 1 |
Unit cell lengths | 59.495, 63.396, 95.169 |
Unit cell angles | 87.89, 82.82, 77.14 |
Refinement procedure
Resolution | 51.490 - 2.950 |
R-factor | 0.2207 |
Rwork | 0.219 |
R-free | 0.26070 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 8e2p |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 51.880 | 3.030 |
High resolution limit [Å] | 2.950 | 2.950 |
Number of reflections | 27706 | 2043 |
<I/σ(I)> | 2.9 | |
Completeness [%] | 98.0 | |
Redundancy | 2 | |
CC(1/2) | 0.918 | 0.771 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | PEG 3,350, ammonium citrate tribasic pH 7.0) |