7TE5
Crystal Structure of the Pirin Family Protein Redox-sensitive Bicupin YhaK from Yersinia pestis
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 19-ID |
Synchrotron site | APS |
Beamline | 19-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2017-06-09 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.97921 |
Spacegroup name | P 31 |
Unit cell lengths | 66.442, 66.442, 122.546 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 33.310 - 1.850 |
R-factor | 0.1747 |
Rwork | 0.167 |
R-free | 0.20690 |
Structure solution method | SAD |
RMSD bond length | 0.004 |
RMSD bond angle | 0.734 |
Data scaling software | HKL-3000 |
Phasing software | HKL-3000 |
Refinement software | PHENIX (1.19_4092) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.880 |
High resolution limit [Å] | 1.850 | 1.850 |
Rmerge | 0.092 | 0.553 |
Number of reflections | 50165 | 1995 |
<I/σ(I)> | 18.2 | |
Completeness [%] | 97.5 | 77.6 |
Redundancy | 2.9 | 2.9 |
CC(1/2) | 0.589 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.6 | 289 | 0.1 M tri-sodium citrate pH 5.6, 10 %(w/v) PEG4000, 10 %(w/v) isopropanol |