3PT8
Structure of HbII-III-CN 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 | 2008-11-04 |
Detector | ADSC QUANTUM 210 |
Wavelength(s) | 0.90750 |
Spacegroup name | P 42 21 2 |
Unit cell lengths | 74.231, 74.231, 152.302 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 19.982 - 1.762 |
R-factor | 0.1984 |
Rwork | 0.197 |
R-free | 0.22640 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2olp |
RMSD bond length | 0.007 |
RMSD bond angle | 0.798 |
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 | 1.810 |
High resolution limit [Å] | 1.750 | 3.760 | 1.750 |
Rmerge | 0.092 | 0.080 | 0.463 |
Number of reflections | 42684 | ||
<I/σ(I)> | 15.5 | ||
Completeness [%] | 97.5 | 95.8 | 79.2 |
Redundancy | 13 | 12.8 | 10.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 5 | 293 | Capillary Counterdiffusion, Sodium Formate, pH 5.0, temperature 293.0K |