2Z8A
Ligand Migration and Binding in The Dimeric Hemoglobin of Scapharca Inaequivalvis: I25W with CO Bound to HEME and in the Presence of 3 Atoms of XE
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 | 2005-11-07 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.9 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 92.660, 43.390, 82.290 |
| Unit cell angles | 90.00, 122.02, 90.00 |
Refinement procedure
| Resolution | 46.300 - 1.060 |
| R-factor | 0.143 |
| Rwork | 0.143 |
| R-free | 0.16200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3sdh |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.014 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Refinement software | SHELXL-97 |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 46.300 | 1.100 |
| High resolution limit [Å] | 1.060 | 1.060 |
| Rmerge | 0.072 | 0.286 |
| Number of reflections | 118984 | |
| <I/σ(I)> | 24.1 | 5.5 |
| Completeness [%] | 95.3 | 90.4 |
| Redundancy | 4.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | SMALL TUBES | 7.5 | 298 | 1.5-2.5M PHOSPHATE BUFFER, pH 7.50, SMALL TUBES, temperature 298K |
