6B9T
Crystal structure of MPnS with substrate 2-hydroxyethylphosphonate (2-HEP) and Fe(II) bound
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL9-2 |
Synchrotron site | SSRL |
Beamline | BL9-2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2016-01-22 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 0.9791 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 70.850, 351.250, 76.870 |
Unit cell angles | 90.00, 103.36, 90.00 |
Refinement procedure
Resolution | 46.099 - 2.350 |
R-factor | 0.1927 |
Rwork | 0.190 |
R-free | 0.23770 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.003 |
RMSD bond angle | 0.627 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX ((1.10_2155: ???)) |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 100.000 |
High resolution limit [Å] | 2.350 |
Rmeas | 0.104 |
Rpim | 0.004 |
Number of reflections | 135649 |
<I/σ(I)> | 15.2 |
Completeness [%] | 89.8 |
Redundancy | 6.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 297 | 220 mM ammonium chloride, 21% (w/v) PEG 3350, 4 mM 2-hydroxyethylphosphonate, soaked in 220 mM ammonium formate, 21% (w/v) PEG 3350, 2 mM iron(II) chloride, 2.5 mM 2-hydroxyethylphosphonate |