1A00
HEMOGLOBIN (VAL BETA1 MET, TRP BETA37 TYR) MUTANT
Experimental procedure
| Source type | ROTATING ANODE |
| Source details | RIGAKU RUH2R |
| Temperature [K] | 295 |
| Detector technology | AREA DETECTOR |
| Collection date | 1995-10-31 |
| Detector | XUONG-HAMLIN MULTIWIRE |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 84.100, 112.000, 63.800 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 8.000 - 2.000 |
| R-factor | 0.167 * |
| Rwork | 0.169 |
| R-free | 0.22300 |
| Structure solution method | ISOMORPHOUS WITH DEOXYHEMOGLOBIN A |
| Starting model (for MR) | BV1M STRUCTURE PDB ENTRY 1A0Z. |
| RMSD bond length | 0.013 |
| RMSD bond angle | 0.030 |
| Data reduction software | SDMS |
| Data scaling software | SDMS |
| Refinement software | PROLSQ |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 25.000 | 2.150 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.069 | 0.191 |
| Total number of observations | 237463 * | |
| Number of reflections | 40226 | |
| <I/σ(I)> | 8.6 | 2.24 |
| Completeness [%] | 97.1 | 86.3 |
| Redundancy | 5.9 | 3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Batch method * | 7 | 10.5% PEG 6000 10 MM POTASSIUM PHOSPHATE PH 7.0 100 MM POTASSIUM CHLORIDE 3 MM SODIUM DITHIONITE |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | 1 | potassium phosphate | 10 (mM) | |
| 2 | 1 | 1 | 100 (mM) | ||
| 3 | 1 | 1 | sodium dithionite | 3 (mM) | |
| 4 | 1 | 1 | PEG6000 | 10.0 (%) | |
| 5 | 1 | 1 | hemoglobin | 10 (mg/ml) |
