5U58
Psf4 in complex with Fe2+ and (R)-2-HPP
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-D |
Synchrotron site | APS |
Beamline | 21-ID-D |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2014-04-06 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 0.97911 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 53.413, 109.655, 125.695 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 48.019 - 2.700 |
R-factor | 0.2362 |
Rwork | 0.234 |
R-free | 0.26860 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.002 |
RMSD bond angle | 0.594 |
Data reduction software | XDS |
Data scaling software | autoPROC |
Phasing software | PHASER |
Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 82.630 | 2.709 |
High resolution limit [Å] | 2.700 | 2.700 |
Rmerge | 0.817 | |
Number of reflections | 21021 | |
<I/σ(I)> | 11.7 | 2 |
Completeness [%] | 100.0 | 97.2 |
Redundancy | 5.6 | 5.8 |
CC(1/2) | 0.992 | 0.732 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 282 | 18% PEG 3350 0.1 M Ammonium Citrate 10 mg/mL Psf4 Crystallization completed Anaerobically |