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 |