8U8L
X-ray crystal structure of TEBP-2 MCD3 with ds DNA
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-D |
Synchrotron site | APS |
Beamline | 21-ID-D |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2021-10-19 |
Detector | DECTRIS EIGER2 X 9M |
Wavelength(s) | 1.12723 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 37.050, 116.480, 118.969 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 52.980 - 2.200 |
R-factor | 0.2022 |
Rwork | 0.201 |
R-free | 0.21860 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.004 |
RMSD bond angle | 0.653 |
Data reduction software | MOSFLM |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 83.230 | 2.270 |
High resolution limit [Å] | 2.200 | 2.200 |
Rmerge | 0.107 | 0.918 |
Number of reflections | 50213 | 2738 |
<I/σ(I)> | 14.7 | 3 |
Completeness [%] | 99.6 | 99.4 |
Redundancy | 10.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 289 | TEBP-2 MCD3 DNA + 100 mM MES, pH 6.5, 21% PEG8000, 50 mM sodium chloride, 100 mM cesium chloride, sitting drop, 16 degrees C, cryoprotectant: 20% glycerol |