5U5D
Psf4 in complex with Mn2+ and (R)-2-HPP
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-G |
| Synchrotron site | APS |
| Beamline | 21-ID-G |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2014-03-09 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 0.97857 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 54.464, 111.287, 128.499 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 84.120 - 2.490 |
| R-factor | 0.20605 |
| Rwork | 0.204 |
| R-free | 0.25003 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.556 |
| 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] | 84.120 | 2.498 |
| High resolution limit [Å] | 2.490 | 2.490 |
| Rmerge | 0.994 | |
| Number of reflections | 28174 | |
| <I/σ(I)> | 20.8 | 2.2 |
| Completeness [%] | 100.0 | 97.6 |
| Redundancy | 8.1 | 8.3 |
| CC(1/2) | 0.999 | 0.687 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 282 | 22% PEG 3350 0.2 M Ammonium Citrate 10 mg/mL Psf4 |
