1CG5
DEOXY FORM HEMOGLOBIN FROM DASYATIS AKAJEI
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE BL-18B |
| Synchrotron site | Photon Factory |
| Beamline | BL-18B |
| Temperature [K] | 298 |
| Spacegroup name | P 31 1 2 |
| Unit cell lengths | 77.760, 77.760, 99.320 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 8.000 - 1.600 |
| R-factor | 0.191 * |
| Rwork | 0.191 |
| R-free | 0.23200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2hhb |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.300 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | X-PLOR |
| Refinement software | X-PLOR (3.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 100.000 | 1.660 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Rmerge | 0.068 | 0.263 |
| Total number of observations | 209235 * | |
| Number of reflections | 42219 | 3544 * |
| <I/σ(I)> | 1 | |
| Completeness [%] | 92.7 | 78.1 |
| Redundancy | 4.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Batch method * | 6.5 | pH 6.5 |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | 1 | ammonium sulfate | 1.8-2.0 (M) | |
| 2 | 1 | 1 | haemoglobin | 2 (%) |
