1IT2
Hagfish deoxy hemoglobin
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL44B2 |
| Synchrotron site | SPring-8 |
| Beamline | BL44B2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2000-10-23 |
| Detector | MARRESEARCH |
| Wavelength(s) | 1.0 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 104.024, 62.269, 66.536 |
| Unit cell angles | 90.00, 107.40, 90.00 |
Refinement procedure
| Resolution | 20.000 - 1.600 |
| R-factor | 0.206 * |
| Rwork | 0.211 |
| R-free | 0.23600 * |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1f5o |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.100 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | X-PLOR |
| Refinement software | X-PLOR (3.851) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 1.690 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Rmerge | 0.050 | 0.291 |
| Total number of observations | 221709 * | |
| Number of reflections | 52908 | |
| <I/σ(I)> | 13.5 | 3.3 |
| Completeness [%] | 99.2 | 95.2 |
| Redundancy | 4.2 | 4.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Batch method * | 6.5 | 27 * | PEG 4000, Tris-Buffer, pH 6.5, SMALL TUBES, temperature 298K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | 1 | PEG4000 | 19 (%) | |
| 2 | 1 | 1 | glycerol | 10 (%) | |
| 3 | 1 | 1 | Bis-Tris-HCl | 50 (mM) | pH6.5 |
| 4 | 1 | 1 | 2-mercaptoethanol | 0.020 (mM) | |
| 5 | 1 | 1 | 100 (mM) | ||
| 6 | 1 | 1 | protein | 1.5 (%) |
