6Q1D
Holo YfeA reconstituted by zinc soaking
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | CLSI BEAMLINE 08ID-1 |
Synchrotron site | CLSI |
Beamline | 08ID-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-07-08 |
Detector | DECTRIS PILATUS3 S 6M |
Wavelength(s) | 1.28232 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 39.864, 50.922, 115.536 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 46.597 - 1.790 |
R-factor | 0.1868 |
Rwork | 0.184 |
R-free | 0.21920 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5uxs |
Data reduction software | HKL-2000 (v712) |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | PHENIX (1.14_3260) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.820 |
High resolution limit [Å] | 1.790 | 1.790 |
Number of reflections | 42877 | 3015 |
<I/σ(I)> | 43.1 | |
Completeness [%] | 99.9 | |
Redundancy | 6.7 | |
CC(1/2) | 0.967 | 0.973 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 6.3 | 293.15 | 20 mM Bis-Tris, pH 6.3, 50 mM sodium chloride, 0.05% w/v sodium azide, 30% w/v PEG4000 |