5U55
Psf4 in complex with Mn2+ 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 | 2014-02-23 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.97872 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 56.290, 111.005, 128.887 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 84.110 - 2.450 |
| R-factor | 0.20701 |
| Rwork | 0.205 |
| R-free | 0.25304 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.518 |
| 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] | 84.110 | 2.460 |
| High resolution limit [Å] | 2.450 | 2.450 |
| Rmerge | 0.895 | |
| Number of reflections | 30592 | |
| <I/σ(I)> | 18.9 | 2.1 |
| Completeness [%] | 100.0 | 99.7 |
| Redundancy | 6.9 | 7.2 |
| CC(1/2) | 0.728 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 282 | 20% w/v polyethylene glycol 3350 0.1 M potassium citrate 12 mg/mL Psf4 |
