2OLP
Structure and ligand selection of hemoglobin II from Lucina pectinata
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 | 2004-07-01 |
Detector | MAR CCD 165 mm |
Wavelength(s) | 0.97749 |
Spacegroup name | P 42 21 2 |
Unit cell lengths | 73.918, 73.918, 152.355 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 19.838 - 1.932 |
Rwork | 0.165 |
R-free | 0.19320 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1ebt |
RMSD bond length | 0.013 |
RMSD bond angle | 1.841 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | CNS |
Refinement software | REFMAC (refmac_5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 1.960 |
High resolution limit [Å] | 1.930 | 1.930 |
Rmerge | 0.050 | 0.336 |
Number of reflections | 32364 | |
<I/σ(I)> | 28.81 | 7 |
Completeness [%] | 99.6 | 100 |
Redundancy | 10.5 | 10.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | COUNTER-DIFFUSION | 7 | 298 | Reactor: 0.2 mm inner diameter capillary with a three layer configuration (6 microL/ 3 microL/ 30 microL). Protein chamber: 30 mg/ml in 50 mM BIS-TRIS propane pH 7.0, 0.5 mM EDTA, agarose 0.08% (w/v). Precipitant chamber: Ammonium sulphate 2.0 M., Counter-diffusion, temperature 298K |