5I8F
Crystal structure of St. John's wort Hyp-1 protein in complex with melatonin
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-ID |
| Synchrotron site | APS |
| Beamline | 22-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-11-21 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 1.0000 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 60.860, 89.639, 76.410 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.000 - 1.300 |
| Rwork | 0.128 |
| R-free | 0.15300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3ie5 |
| Data reduction software | DENZO |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 1.320 |
| High resolution limit [Å] | 1.300 | 1.300 |
| Rmerge | 0.057 | 0.510 |
| Number of reflections | 51868 | |
| <I/σ(I)> | 17 | 2.5 |
| Completeness [%] | 99.9 | 99.6 |
| Redundancy | 2.6 | 2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 292 | 1 M citrate (pH 6.5), 20% glycerol. |
