1A0U
HEMOGLOBIN (VAL BETA1 MET) MUTANT
Experimental procedure
Source type | ROTATING ANODE |
Source details | RIGAKU RUH2R |
Temperature [K] | 295 |
Detector technology | AREA DETECTOR |
Collection date | 1995-08-01 |
Detector | XUONG-HAMLIN MULTIWIRE |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 97.200, 99.300, 65.900 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 8.000 - 2.140 |
R-factor | 0.179 |
Rwork | 0.172 |
R-free | 0.23900 |
Structure solution method | ISOMORPHOUS WITH DEOXYHEMOGLOBIN A |
Starting model (for MR) | 1HHB |
RMSD bond length | 0.010 |
RMSD bond angle | 0.024 |
Data reduction software | SDMS |
Data scaling software | SDMS |
Refinement software | PROLSQ |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 25.000 | 2.300 |
High resolution limit [Å] | 2.140 | 2.140 |
Rmerge | 0.079 | 0.173 |
Total number of observations | 267646 * | |
Number of reflections | 35230 | |
<I/σ(I)> | 11.2 | 2.25 |
Completeness [%] | 98.1 | 91 |
Redundancy | 7.6 | 3.5 |
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) |