2D60
Crystal structure of deoxy human hemoglobin complexed with two L35 molecules
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL40B2 |
| Synchrotron site | SPring-8 |
| Beamline | BL40B2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Detector | ADSC QUANTUM 4 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 62.364, 81.384, 53.505 |
| Unit cell angles | 90.00, 99.34, 90.00 |
Refinement procedure
| Resolution | 19.880 - 1.700 |
| R-factor | 0.19761 |
| Rwork | 0.195 |
| R-free | 0.24046 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.018 |
| RMSD bond angle | 1.889 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.1.19) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 1.760 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.056 | 0.258 |
| Number of reflections | 49000 | |
| <I/σ(I)> | 13.1 | |
| Completeness [%] | 85.1 | 63.8 |
| Redundancy | 2.45 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | BATCH | 6.5 | 293 | 2.5M Ammonium sulfate, Ammonium phosphate, 0.1mM L35, pH 6.5, BATCH, temperature 293K |
