2QWS
Neutron and X-ray structural studies of short hydrogen bonds in Photoactive Yellow Protein (PYP)
Experimental procedure
| Experimental method | LAUE |
| Source type | NUCLEAR REACTOR |
| Source details | LANSCE BEAMLINE PCS |
| Synchrotron site | LANSCE |
| Beamline | PCS |
| Temperature [K] | 293 |
| Detector technology | AREA DETECTOR |
| Collection date | 2006-08-08 |
| Detector | HE3-FILLED NEUTRON DETECTOR |
| Wavelength(s) | 0.6, 7.0 |
| Spacegroup name | P 63 |
| Unit cell lengths | 66.833, 66.833, 40.947 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 34.000 - 2.500 |
| Rwork | 0.262 |
| R-free | 0.27300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1otb |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.990 |
| Data reduction software | d*TREK (MODIFIED FOR NEUTRON LAUE) |
| Data scaling software | SCALA |
| Phasing software | CNS |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 34.000 | 2.640 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Number of reflections | 3172 | |
| Completeness [%] | 88.8 | 79.3 |
| Redundancy | 3.3 | 2.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7 | 293 | 2.6 M ammonium sulfate in 50 mM sodium phosphate, VAPOR DIFFUSION, HANGING DROP, temperature 293K, pH 7.00 |
