2Z85
Ligand Migration and Binding in The Dimeric Hemoglobin of Scapharca Inaequivalvis: M37F Unliganded
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU200 |
| Temperature [K] | 298 |
| Detector technology | IMAGE PLATE |
| Collection date | 2003-06-21 |
| Detector | RIGAKU RAXIS IIC |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 91.760, 44.520, 143.950 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 38.690 - 1.600 |
| R-factor | 0.193 |
| Rwork | 0.193 |
| R-free | 0.20200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4sdh |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.300 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.000 | 1.660 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Rmerge | 0.051 | 0.225 |
| Number of reflections | 36509 | |
| <I/σ(I)> | 22.1 | 4.9 |
| Completeness [%] | 92.4 | 87.1 |
| Redundancy | 4.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | SMALL TUBES | 8.5 | 298 | 1.5-2.5M PHOSPHATE, pH 8.50, SMALL TUBES, temperature 298K |
