3PI2
Crystallographic Structure of HbII-oxy from Lucina pectinata at pH 8.0
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE BM16 |
| Synchrotron site | ESRF |
| Beamline | BM16 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-11-03 |
| Detector | ADSC QUANTUM 4r |
| Wavelength(s) | 0.90750 |
| Spacegroup name | P 42 21 2 |
| Unit cell lengths | 74.706, 74.706, 152.646 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 - 1.850 |
| R-factor | 0.185 |
| Rwork | 0.183 |
| R-free | 0.21390 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.029 |
| RMSD bond angle | 2.205 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 1.920 |
| High resolution limit [Å] | 1.850 | 1.850 |
| Rmerge | 0.069 | 0.491 |
| Number of reflections | 37050 | |
| <I/σ(I)> | 25.911 | 4.347 |
| Completeness [%] | 98.4 | 100 |
| Redundancy | 8.5 | 8.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Capillary Counterdiffusion | 8 | 293 | Sodium Formate, pH 8.0, Capillary Counterdiffusion, temperature 293.0K |
