6B9R
Streptomyces albus HEPD with substrate 2-hydroxyethylphosphonate (2-HEP) and Fe(II) bound
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 24-ID-C |
Synchrotron site | APS |
Beamline | 24-ID-C |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2015-04-06 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 0.9791 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 89.238, 100.707, 99.088 |
Unit cell angles | 90.00, 92.27, 90.00 |
Refinement procedure
Resolution | 89.168 - 1.802 |
R-factor | 0.1542 |
Rwork | 0.152 |
R-free | 0.18870 |
Structure solution method | SIRAS |
RMSD bond length | 0.007 |
RMSD bond angle | 0.827 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | PHENIX ((1.12_2829: ???)) |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 100.000 |
High resolution limit [Å] | 1.800 |
Rmeas | 0.012 |
Rpim | 0.006 |
Number of reflections | 156962 |
<I/σ(I)> | 11.3 |
Completeness [%] | 97.7 |
Redundancy | 4.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 297 | 255 mM sodium malate, 24% (w/v) PEG 3350, 4 mM 2-hydroxyethylphosphonate. Soaking was performed with 2 mM iron(II)ammonium sulfate. |