2H8D
Crystal structure of deoxy hemoglobin from Trematomus bernacchii at pH 8.4
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ELETTRA BEAMLINE 5.2R |
| Synchrotron site | ELETTRA |
| Beamline | 5.2R |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2002-10-10 |
| Detector | MAR scanner 345 mm plate |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 61.800, 94.630, 61.860 |
| Unit cell angles | 90.00, 90.19, 90.00 |
Refinement procedure
| Resolution | 20.000 - 1.780 |
| R-factor | 0.18 |
| Rwork | 0.180 |
| R-free | 0.22400 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.900 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | X-PLOR |
| Refinement software | SHELXL-97 |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 1.830 |
| High resolution limit [Å] | 1.780 | 1.780 |
| Number of reflections | 63164 | |
| Completeness [%] | 93.4 | 88.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.4 | 298 | deoxy-HbTb 8-9.5 mg/ml mixed with equal amount of 7-12 % w/v PEG 6000, PBS 100 mM, KCl 0.3 M, pH 8.4, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
