4ESA
X-ray structure of carbonmonoxy hemoglobin of Eleginops maclovinus
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 | CCD |
| Collection date | 2009-07-04 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 58.175, 88.075, 123.194 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.000 - 1.450 |
| R-factor | 0.212 |
| Rwork | 0.212 |
| R-free | 0.25300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3gkv |
| RMSD bond length | 0.009 |
| RMSD bond angle | 2.008 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | AMoRE |
| Refinement software | SHELXL |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.500 |
| High resolution limit [Å] | 1.450 | 1.450 |
| Rmerge | 0.075 | 0.382 |
| Number of reflections | 109671 | |
| <I/σ(I)> | 37.5 | 3.3 |
| Completeness [%] | 97.3 | 90.8 |
| Redundancy | 3.5 | 2.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | MICRODIALYSIS | 8 | 298 | 10 ml protein solution at 20 mg/ml 1 in 100 mM Tris HCl buffer and 2 mM sodium dithionite was dialyzed against a 25 ml reservoir containing 2 M ammonium sulfate, 100 mM Tris HCl, 2 mM sodium dithionite, pH 8.0, MICRODIALYSIS, temperature 298K |
