8B1B
DtpB-Nb132-AL
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 | 2020-09-24 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.98 |
Spacegroup name | P 2 21 21 |
Unit cell lengths | 54.591, 125.836, 169.031 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 54.590 - 2.800 |
R-factor | 0.2296 |
Rwork | 0.226 |
R-free | 0.26310 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6gs4 |
RMSD bond length | 0.011 |
RMSD bond angle | 1.406 |
Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 54.590 | 2.900 |
High resolution limit [Å] | 2.800 | 2.800 |
Number of reflections | 29527 | 2894 |
<I/σ(I)> | 16.3 | |
Completeness [%] | 99.9 | |
Redundancy | 12.8 | |
CC(1/2) | 0.997 | 0.531 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 292.15 | 100 mM HEPES pH 6.7, 30-40 % PEG 400 100-300 mM NaCl, 100-300 mM MgCl2, and 10 mM AL |