5UXU
YfeA from Yersinia pestis treated with EDTA during purification and crystallization
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 23-ID-B |
Synchrotron site | APS |
Beamline | 23-ID-B |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-02-15 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 1.28229 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 55.319, 66.875, 81.693 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 40.846 - 1.839 |
R-factor | 0.1728 |
Rwork | 0.170 |
R-free | 0.20300 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5uxs |
RMSD bond length | 0.007 |
RMSD bond angle | 0.875 |
Data reduction software | HKL-2000 (v712) |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | PHENIX ((1.11.1_2575: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.870 |
High resolution limit [Å] | 1.839 | 1.840 |
Rmerge | 0.066 | 0.171 |
Rpim | 0.042 | 0.122 |
Number of reflections | 26517 | 1199 |
<I/σ(I)> | 48.9 | 0.5 |
Completeness [%] | 98.0 | 90.6 |
Redundancy | 3.3 | 2.6 |
CC(1/2) | 0.995 | 0.924 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.3 | 293.15 | 2mM EDTA, 30% PEG4000, 20mM Bis-tris propane, 50mM sodium chloride, 0.05% w/v sodium azide |