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 |