3PT7
Structure of HbII-III-Oxy from Lucina pectinata at pH 5.0
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 | 2007-10-06 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 0.88560 |
| Spacegroup name | P 42 21 2 |
| Unit cell lengths | 74.073, 74.073, 152.069 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.942 - 2.150 |
| R-factor | 0.192 |
| Rwork | 0.189 |
| R-free | 0.24510 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2olp |
| RMSD bond length | 0.018 |
| RMSD bond angle | 1.057 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | PHENIX (1.6.1_357) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 20.000 | 20.000 | 2.230 |
| High resolution limit [Å] | 2.150 | 4.610 | 2.150 |
| Rmerge | 0.070 | 0.048 | 0.367 |
| Number of reflections | 23741 | ||
| <I/σ(I)> | 14.6 | ||
| Completeness [%] | 99.4 | 95.6 | 100 |
| Redundancy | 10.7 | 9.6 | 10.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Capillary Counterdiffusion | 5 | 293 | Sodium Formate, pH 5.0, Capillary Counterdiffusion, temperature 293.0K |
