5UBK
Inactive S1A/N269D-cpPvdQ mutant in complex with the pyoverdine precursor PVDIq reveals a specific binding pocket for the D-Tyr of this substrate
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 19-ID |
Synchrotron site | APS |
Beamline | 19-ID |
Temperature [K] | 293 |
Detector technology | PIXEL |
Collection date | 2016-06-15 |
Detector | DECTRIS PILATUS3 X 1M |
Wavelength(s) | 0.98 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 120.384, 168.361, 93.643 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 39.035 - 2.550 |
R-factor | 0.1871 |
Rwork | 0.184 |
R-free | 0.23690 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.003 |
RMSD bond angle | 0.579 |
Data reduction software | iMOSFLM |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | PHENIX (1.11.1_2575) |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 40.000 |
High resolution limit [Å] | 2.550 |
Number of reflections | 31073 |
<I/σ(I)> | 5.4 |
Completeness [%] | 99.7 |
Redundancy | 5.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 295 | 10% (w/v) PEG 6000, bicine (100 mM) at pH 9.0 |