4VHB
THIOCYANATE ADDUCT OF THE BACTERIAL HEMOGLOBIN FROM VITREOSCILLA SP.
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 | 1996-11-15 |
Detector | MARRESEARCH |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 62.620, 40.380, 62.780 |
Unit cell angles | 90.00, 105.93, 90.00 |
Refinement procedure
Resolution | 15.000 - 1.800 |
Structure solution method | OTHER |
RMSD bond length | 0.015 |
RMSD bond angle | 2.580 |
Data reduction software | MOSFLM |
Data scaling software | SCALEPACK |
Phasing software | CCP4 |
Refinement software | TNT (5E) |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 15.000 |
High resolution limit [Å] | 1.800 |
Rmerge | 0.070 * |
Total number of observations | 28861 * |
Number of reflections | 9310 |
<I/σ(I)> | 20 |
Completeness [%] | 100.0 |
Redundancy | 3.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | Vapor diffusion * | 6.4 | 4.0 * | AMMONIUM SULFATE 1.3M, 0.1 M PYROPHOSPHATE, 3% ETHYLENE GLYCOLE, PH 6.4. THIOCYANATE SOAKING CONDITION: 0.5M SCN FOR 30 MIN. |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | reservoir | ammonium sulfate | 1.3 (M) | |
2 | 1 | reservoir | pyrophosphate | 0.10 (M) | |
3 | 1 | reservoir | ethylene glycol | 3 (%(v/v)) |