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. |
