3PI3
Crystallographic Structure of HbII-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) | 0.88506 |
Spacegroup name | P 42 21 2 |
Unit cell lengths | 73.973, 73.973, 153.194 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 20.000 - 1.950 |
R-factor | 0.1767 |
Rwork | 0.175 |
R-free | 0.21070 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2olp |
RMSD bond length | 0.010 |
RMSD bond angle | 1.112 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | MOLREP |
Refinement software | REFMAC |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 20.000 | 20.000 | 2.020 |
High resolution limit [Å] | 1.950 | 4.190 | 1.950 |
Rmerge | 0.138 | 0.128 | 0.422 |
Number of reflections | 31837 | ||
<I/σ(I)> | 15.4 | ||
Completeness [%] | 99.9 | 98.8 | 100 |
Redundancy | 10.4 | 10.7 | 9.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | Capillary Counterdiffusion | 5 | 293 | Sodium Formate, pH 5.0, Capillary Counterdiffusion, temperature 293.0K |