2I9V
Structural role of Y98 in PYP: effects on fluorescence, gateway and photocycle recovery
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | EMBL/DESY, HAMBURG BEAMLINE X13 |
| Synchrotron site | EMBL/DESY, HAMBURG |
| Beamline | X13 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2005-05-02 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 0.8067 |
| Spacegroup name | H 3 |
| Unit cell lengths | 86.748, 86.748, 56.922 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 30.000 - 2.200 |
| R-factor | 0.235 |
| Rwork | 0.199 |
| R-free | 0.24100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2phy |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.204 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.250 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.086 | 0.331 |
| Number of reflections | 8065 | |
| <I/σ(I)> | 22.9 | 5.8 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 5.5 | 5.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.9 | 293 | 3.2 M ammonium sulphate, 20 mM sodium phosphate, pH 5.9 , VAPOR DIFFUSION, HANGING DROP, temperature 293K |
