1I3E
HUMAN AZIDO-MET HEMOGLOBIN BART'S (GAMMA4)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RUH3R |
| Temperature [K] | 110 |
| Detector technology | IMAGE PLATE |
| Collection date | 1999-09-30 |
| Detector | MAR scanner 345 mm plate |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 60.541, 81.625, 53.036 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 - 1.860 |
| R-factor | 0.184 * |
| Rwork | 0.184 |
| R-free | 0.22000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | HUMAN CARBONMONOXY HEMOGLOBIN BART'S |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.100 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 25.000 | 1.930 |
| High resolution limit [Å] | 1.860 | 1.860 |
| Rmerge | 0.064 | 0.261 |
| Total number of observations | 156828 * | |
| Number of reflections | 22691 | |
| <I/σ(I)> | 14.1 | 6.9 |
| Completeness [%] | 99.7 | 98.3 |
| Redundancy | 6.9 | 5.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 * | 18 * | acetic acid/KOH, MePEG 5000, pH 4.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 40 (mg/ml) | |
| 2 | 1 | drop | HEPES | 0.1 (M) | |
| 3 | 1 | drop | sodium dithionite | 2 (mM) | |
| 4 | 1 | reservoir | acetic acid-KOH | 0.2 (M) | |
| 5 | 1 | reservoir | mPEG5000 | 21 (%) |
