3HXN
The structure of human carbonmonoxyhemoglobin complex to IHP at 2.0 angstrons resolution.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | LNLS BEAMLINE D03B-MX1 |
Synchrotron site | LNLS |
Beamline | D03B-MX1 |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2002-07-24 |
Detector | MAR scanner 345 mm plate |
Wavelength(s) | 1.54 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 54.524, 79.959, 62.241 |
Unit cell angles | 90.00, 98.06, 90.00 |
Refinement procedure
Resolution | 10.000 - 2.000 |
Rwork | 0.225 |
R-free | 0.28300 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3HHB - HEMOGLOBIN (DEOXY) |
RMSD bond length | 0.014 |
RMSD bond angle | 1.813 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | AMoRE |
Refinement software | CNS (1.0) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 2.060 |
High resolution limit [Å] | 2.000 | 2.000 |
Number of reflections | 26293 | |
<I/σ(I)> | 17.7 | |
Completeness [%] | 92.3 | 88.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 295 | CARBONMONOXYHEMOGLOBIN:IHP 1:1, CRYSTALLIZED IN 27% PEG 3350 BUBBLED IN CO- , pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 295K |