5U57
Psf4 in complex with Fe2+ and (S)-2-HPP
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-F |
| Synchrotron site | APS |
| Beamline | 21-ID-F |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2014-03-29 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.97872 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 54.903, 111.471, 128.762 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 84.280 - 2.730 |
| R-factor | 0.25971 |
| Rwork | 0.257 |
| R-free | 0.31106 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.447 |
| Data reduction software | XDS |
| Data scaling software | autoPROC |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 84.280 | 2.743 |
| High resolution limit [Å] | 2.730 | 2.734 |
| Rmerge | 0.706 | |
| Number of reflections | 21630 | |
| <I/σ(I)> | 15.7 | 2.2 |
| Completeness [%] | 100.0 | 97.6 |
| Redundancy | 5.9 | 6 |
| CC(1/2) | 0.995 | 0.786 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 282 | 22% PEG 3,350 0.1 M Ammonium Citrate 10 mg/mL Psf4 Crystallized Anaerobically |
