8B17
DtpB-Nb132-AWA
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 | 2020-11-01 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 0.976 |
Spacegroup name | P 2 21 21 |
Unit cell lengths | 54.598, 125.359, 168.823 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 84.410 - 2.500 |
R-factor | 0.2362 |
Rwork | 0.234 |
R-free | 0.26880 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6gs4 |
RMSD bond length | 0.011 |
RMSD bond angle | 1.287 |
Data reduction software | autoPROC |
Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 84.410 | 2.589 |
High resolution limit [Å] | 2.500 | 2.500 |
Rmerge | 0.021 | 0.496 |
Number of reflections | 40497 | 4037 |
<I/σ(I)> | 14.29 | |
Completeness [%] | 100.0 | |
Redundancy | 2 | |
CC(1/2) | 1.000 | 0.643 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 292 | 100 mM Hepes pH 7.0, 30-40 % PEG 400 100-300 mM NaCl, 200 mM Li2SO4, 10 mM AWA |