2PEG
Crystal structure of Trematomus bernacchii hemoglobin in a partial hemichrome state
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 | 2005-04-01 |
| Detector | MARRESEARCH |
| Wavelength(s) | 1.20000 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 87.160, 87.740, 55.380 |
| Unit cell angles | 90.00, 97.66, 90.00 |
Refinement procedure
| Resolution | 30.000 - 1.480 |
| R-factor | 0.203 |
| Rwork | 0.199 |
| R-free | 0.23400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1s5y |
| RMSD bond length | 0.009 |
| RMSD bond angle | 0.900 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | X-PLOR (3.851) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 1.530 |
| High resolution limit [Å] | 1.480 | 1.480 |
| Rmerge | 0.035 | 0.227 |
| Number of reflections | 74461 | |
| <I/σ(I)> | 29 | |
| Completeness [%] | 99.4 | 99.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | LIQUID DIFFUSION | 7.6 | 293 | PEG MME 5000, TRIS-HCL, pH 7.6, LIQUID DIFFUSION, temperature 293K |
