8OO1
Wide inward-open liganded UraA in complex with a conformation-selective synthetic nanobody
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X06DA |
Synchrotron site | SLS |
Beamline | X06DA |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2020-02-22 |
Detector | DECTRIS PILATUS 2M-F |
Wavelength(s) | 1.0 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 86.250, 116.820, 94.300 |
Unit cell angles | 90.00, 100.48, 90.00 |
Refinement procedure
Resolution | 49.420 - 3.700 |
R-factor | 0.2724 |
Rwork | 0.271 |
R-free | 0.29440 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.002 |
RMSD bond angle | 0.453 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHENIX (1.17.1_3660) |
Refinement software | PHENIX (1.17.1_3660) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 49.420 | 13.480 | 3.090 |
High resolution limit [Å] | 3.010 | 9.530 | 3.010 |
Rmerge | 0.159 | 0.041 | 0.322 |
Rmeas | 0.172 | 0.044 | 0.350 |
Number of reflections | 23194 | 758 | 84 |
<I/σ(I)> | 10.14 | ||
Completeness [%] | 63.6 | ||
Redundancy | 6.8 | ||
CC(1/2) | 0.998 | 0.999 | 0.958 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.4 | 291 | 50 mM Tris, 50 mM magnesium acetate, 0.1% Benzamidine, 40% (v/v) PEG400, 1 mM uracil |