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 |
