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 |