3PI1
Crystallographic Structure of HbII-oxy from Lucina pectinata at pH 9.0
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 | 2008-11-02 |
| Detector | ADSC QUANTUM 4r |
| Wavelength(s) | 0.90750 |
| Spacegroup name | P 42 21 2 |
| Unit cell lengths | 75.923, 75.923, 153.134 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.509 - 2.002 |
| R-factor | 0.1921 |
| Rwork | 0.190 |
| R-free | 0.23080 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.117 |
| Data reduction software | DENZO |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | PHENIX (1.6.1_357) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.070 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.130 | 0.512 |
| Number of reflections | 29432 | |
| <I/σ(I)> | 7.78 | 1.943 |
| Completeness [%] | 95.5 | 98.1 |
| Redundancy | 4.3 | 4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Capillary Counterdiffusion | 9 | 293 | Sodium Formate, pH 9.0, Capillary Counterdiffusion, temperature 293.0K |
