5UYG
YfeA with metal bound to site 2 - Zn wavelength
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 23-ID-D |
Synchrotron site | APS |
Beamline | 23-ID-D |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2016-11-26 |
Detector | RAYONIX MX300-HS |
Wavelength(s) | 1.28281 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 62.356, 66.036, 66.827 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 46.972 - 1.859 |
R-factor | 0.1916 |
Rwork | 0.189 |
R-free | 0.21800 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5uxs |
RMSD bond length | 0.008 |
RMSD bond angle | 0.887 |
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 | 1.890 |
High resolution limit [Å] | 1.859 | 1.859 |
Rmerge | 0.071 | 0.335 |
Rpim | 0.035 | 0.188 |
Number of reflections | 23851 | 1183 |
<I/σ(I)> | 46.6 | 0.4 |
Completeness [%] | 99.8 | 99.9 |
Redundancy | 4.8 | 4.8 |
CC(1/2) | 0.986 | 0.903 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 6.3 | 293.15 | 30% PEG 4000, 20mM Bis-tris propane, 50mM sodium chloride, 0.05% sodium azide, 10mM manganese chloride |