2W6Y
Crystal structure of Sperm Whale Myoglobin mutant YQR in complex with Xenon
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ELETTRA BEAMLINE 5.2R |
| Synchrotron site | ELETTRA |
| Beamline | 5.2R |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2000-05-06 |
| Detector | MARRESEARCH |
| Spacegroup name | P 6 |
| Unit cell lengths | 90.626, 90.626, 45.505 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 26.000 - 1.600 |
| Rwork | 0.165 |
| R-free | 0.19600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1naz |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.188 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 26.100 | 1.900 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Rmerge | 0.060 | 0.170 |
| Number of reflections | 28029 | |
| <I/σ(I)> | 15.2 | 3.2 |
| Completeness [%] | 100.0 | 99.9 |
| Redundancy | 5.7 | 5.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 8.7 | 2.6M (NH4)2SO4, 0.1M TRIS/HCL, PH8.5, pH 8.7 |
