1OTD
STRONG HYDROGEN BONDS IN PHOTOACTIVE YELLOW PROTEIN AND THEIR ROLE IN ITS PHOTOCYCLE
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 14-BM-C |
| Synchrotron site | APS |
| Beamline | 14-BM-C |
| Temperature [K] | 110 |
| Detector technology | CCD |
| Collection date | 1999-11-30 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 33.983, 91.102, 36.756 |
| Unit cell angles | 90.00, 92.67, 90.00 |
Refinement procedure
| Resolution | 20.000 - 1.250 |
| R-factor | 0.171 |
| Rwork | 0.167 |
| R-free | 0.21500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2phy |
| RMSD bond length | 0.016 |
| RMSD bond angle | 2.610 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | SHELXL-97 |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 100.000 | 1.290 |
| High resolution limit [Å] | 1.250 | 1.250 |
| Rmerge | 0.061 | 0.400 |
| Number of reflections | 61494 | |
| <I/σ(I)> | 16.3 | 2 |
| Completeness [%] | 90.3 | 56.9 |
| Redundancy | 6.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 9.5 | PEG 4000, MgCl2, Tris, pH 9.5, VAPOR DIFFUSION, HANGING DROP, temperature 110K |
